SCHEMBL4938671

SCHEMBL4938671

COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
KDM1A O60341 6/20 0.45
POLB P06746 5/20 0.43
RAD52 P43351 3/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IGF1R P08069 1/20 0.42
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
LY6K Q17RY6 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
SCHEMBL4910913 0.94 KDM1A (0.51) KMT2AMEN1KDM1APOLBRAD52
SCHEMBL4909549 0.92 KDM1A (0.46) KMT2AMEN1KDM1APOLBGFER
SCHEMBL4914818 0.90 KDM1A (0.45) KMT2AKDM1APOLBRAD52MAPT
SCHEMBL4904556 0.90 IGF1R (0.48) KMT2AMEN1KDM1APOLBRAD52
SCHEMBL4913240 0.88 KDM1A (0.50) KDM1APOLBMAPTKDM4ESMN1; SMN2
SCHEMBL4915537 0.87 RAD52 (0.51) KDM1APOLBRAD52MAPTLMNA
SCHEMBL4901500 0.85 KDM1A (0.47) KMT2AMEN1KDM1APOLBRAD52
SCHEMBL4912409 0.85 KMT2A (0.51) KMT2AMEN1KDM1APOLBRAD52
SCHEMBL4911378 0.84 ABL1 (0.45) KMT2AMEN1KDM1APOLBRAD52
SCHEMBL4912639 0.84 KDM1A (0.38) KMT2AMEN1KDM1APOLBMAPT

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 KMT2A 876/4885MEN1 4701/4885KDM1A 722/4885
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 KMT2A 257/4885MEN1 3722/4885KDM1A 995/4885

“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.