SCHEMBL1876237

SCHEMBL1876237

Nc1ccc(Oc2ccc3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
MAOA P21397 1/20 0.48
NCF1 P14598 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL199906 0.85 HTT (0.58) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31595897 0.85 HTT (0.58) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28342438 0.83 HTT (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL27672403 0.83 HTT (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL12386818 0.82 HTT (0.63) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8617215 0.82 NPC1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28761503 0.82 HTT (0.63) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10847357 0.82 AR (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11694952 0.82 NPC1 (0.63) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11109000 0.82 HTT (0.47) MEN1KMT2ANPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
EP-2258366-B1 Quinoline derivatives capable of inhibiting autophosphorylation of hepatocyte growth factor receptors, and pharmaceutical composition comprising the same KIRIN PHARMA KK (JP) 2013-04-03 EP disclosed
US-8324245-B2 Quinoline derivative and quinazoline derivative inhibiting self-phosphorylation of hepatocytus proliferator receptor, and medicinal composition containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-12-04 US disclosed
US-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
CN-102574804-A Quinolinyloxyphenylsulfonamides MAX PLANCK GESELLSCHAFT 2012-07-11 CN disclosed
US-20110105747-A1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF-PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2011-05-05 US disclosed
EP-2258366-A2 Quinoline derivatives and quinazoline derivatives capable of inhibiting autophosphorylation of hepatocyte growth factor receptors, and pharmaceutical composition comprising the same Kirin Pharma Kabushiki Kaisha (JP) 2010-12-08 EP disclosed
EP-1411046-B1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF-PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN PHARMA KK (JP) 2009-09-16 EP disclosed
EP-2088141-A2 Quinoline derivatives and quinazoline derivatives capable of inhibiting autophosphorylation of hepatocyte growth factor receptors, and pharmaceutical composition comprising the same Kirin Pharma Kabushiki Kaisha (JP) 2009-08-12 EP disclosed
US-7425564-B2 Quinoline derivative and quinazoline derivative inhibiting self-phosphorylation of hepatocytus prolifertor receptor and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 US disclosed
US-20040242603-A1 Quinoline derivative and quinazoline derivative inhibiting self-phosphorylation of hepatocytus proliferator receptor and medicinal composition containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-12-02 US disclosed
EP-1411046-A1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF−PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2004-04-21 EP disclosed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
US-4753940-A PARASITICIDE, ANTHELMINTIC CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0191474-A1 Barbituric-acid derivatives CIBA-GEIGY AG (CH) 1986-08-20 EP disclosed
US-4425343-A Benzoazine ether or thioether linkage containing urea compounds, process for producing same and insecticides containing said compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-10 US disclosed
US-4376202-A CHEMICAL INTERMEDIATES FOR INSECTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC KDM1A 722/4885MEN1 4701/4885KMT2A 876/4885
US-20040242603-A1 Quinoline derivative and quinazoline derivative inhibiting self-phosphorylation of hepatocytus proliferator receptor and medicinal composition containing the same NR1H2, NR1H3, NR1H4 KDM1A 3506/4885MEN1 3975/4885KMT2A 2159/4885
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG KDM1A 995/4885MEN1 3722/4885KMT2A 257/4885
US-20110105747-A1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF-PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME NR1H2, NR1H3, NR1H4 KDM1A 2872/4885MEN1 4345/4885KMT2A 1790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.