SCHEMBL4914818

SCHEMBL4914818

Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.45
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
RAD52 P43351 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 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
SCHEMBL4906258 0.94 KDM1A (0.48) KDM1AKDM4EPOLBMAPTRAD52
SCHEMBL4911378 0.93 ABL1 (0.45) KDM1AKDM4EPOLBMAPTRAD52
SCHEMBL4913240 0.91 KDM1A (0.50) KDM1AKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL4913235 0.90 KDM1A (0.40) KDM1AKDM4EPOLBMAPTRAD52
SCHEMBL4938671 0.90 KMT2A (0.47) KDM1AKDM4EPOLBMAPTRAD52
SCHEMBL4912830 0.88 KDM1A (0.49) KDM1AKDM4EPOLBMAPTRAD52
SCHEMBL4909597 0.87 RAD52 (0.44) KDM1APOLBMAPTRAD52ABL1
SCHEMBL4904325 0.87 KDM1A (0.46) KDM1AKDM4EPOLBMAPTRAD52
SCHEMBL4909549 0.86 KDM1A (0.46) KDM1AKDM4EPOLBMAPTKMT2A
SCHEMBL10454646 0.86 TOP2A (0.46) KDM1AKDM4EPOLBMAPTRAD52

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-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 722/4885KDM4E 873/4885POLB 150/4885
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 995/4885KDM4E 988/4885POLB 65/4885

“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.