SCHEMBL4908994

SCHEMBL4908994

COc1cccc2c(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3nc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.55
PARP1 P09874 2/20 0.45
HPSE Q9Y251 2/20 0.44
HIF1A Q16665 2/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
IGF1R P08069 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RAB9A P51151 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4909587 0.90 KDM1A (0.42) KDM1APARP1HPSEHIF1AEGFR
SCHEMBL4910324 0.90 KDM1A (0.55) KDM1APARP1IGF1R
SCHEMBL4916201 0.89 KDM1A (0.55) KDM1APARP1MEN1KMT2AIGF1R
SCHEMBL4913437 0.89 KDM1A (0.55) KDM1APARP1
SCHEMBL4913007 0.88 KDM1A (0.52) KDM1APARP1IGF1R
SCHEMBL4909598 0.87 KDM1A (0.53) KDM1APARP1
SCHEMBL4907440 0.87 KDM1A (0.53) KDM1APARP1IGF1R
SCHEMBL4907647 0.87 KDM1A (0.53) KDM1APARP1HPSEEGFRERBB2
SCHEMBL4909276 0.87 KDM1A (0.48) KDM1APARP1EGFRERBB2MEN1
SCHEMBL4904734 0.86 EGFR (0.45) KDM1AEGFRERBB2MEN1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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
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
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
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

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

For each of this compound's patents that has machine-readable text (2 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 722/4885PARP1 778/4885HPSE 1280/4885
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 995/4885PARP1 84/4885HPSE 2286/4885

“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.