SCHEMBL4907647

SCHEMBL4907647

Cc1cccc2c(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3nc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.53
KDR P35968 1/20 0.47
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
PARP1 P09874 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
RAB9A P51151 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
HPSE Q9Y251 1/20 0.41

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
SCHEMBL4912596 0.90 KDM1A (0.54) KDM1AKMT2APARP1
SCHEMBL4909827 0.89 KDM1A (0.51) KDM1AEGFRERBB2PARP1
SCHEMBL4909655 0.89 EGFR (0.41) KDM1AKDREGFRERBB2MEN1
SCHEMBL4904734 0.89 EGFR (0.45) KDM1AKDREGFRERBB2MEN1
SCHEMBL4908237 0.88 KDM1A (0.52) KDM1AMEN1NPC1KMT2APARP1
SCHEMBL4907330 0.88 EGFR (0.49) KDM1AEGFRERBB2MEN1NPC1
SCHEMBL4907557 0.87 TOP2A (0.52) KDM1APARP1
SCHEMBL4908994 0.87 KDM1A (0.55) KDM1AEGFRERBB2MEN1NPC1
SCHEMBL4907445 0.87 EGFR (0.44) KDM1AKDREGFRERBB2MEN1
SCHEMBL4904496 0.87 KDM1A (0.51) KDM1AKDRPARP1

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 722/4885KDR 1922/4885EGFR 896/4885
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 995/4885KDR 899/4885EGFR 543/4885

“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.