SCHEMBL4910173

SCHEMBL4910173

COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc(OC)ccc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50
MAPT P10636 8/20 0.50
HPGD P15428 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.47
IGF1R P08069 1/20 0.46
THRB P10828 1/20 0.46
CNR1 P21554 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PLA2G2A P14555 1/20 0.44
TACR3 P29371 2/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL15097276 0.94 MAPT (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4904606 0.93 MAPT (0.44) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4908277 0.93 MAPT (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4907465 0.93 IGF1R (0.53) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4911441 0.92 PLA2G2A (0.49) KDM4EMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4909713 0.89 ACP1 (0.47) KDM4EMAPTSMN1; SMN2HTTIGF1R
SCHEMBL4909943 0.88 CA12 (0.47) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4911678 0.88 MAPT (0.45) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4911659 0.86 CA9 (0.52) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4905092 0.86 IGF1R (0.55) KDM4EALDH1A1KMT2AMEN1IGF1R

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 6 patents. 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
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-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
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 KDM4E 873/4885ALDH1A1 1144/4885MAPT 3066/4885
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 KDM4E 988/4885ALDH1A1 1712/4885MAPT 3624/4885

“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.