SCHEMBL4910374

SCHEMBL4910374

COc1ccccc1-c1cc(NNC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
IGF1R P08069 2/20 0.41
TACR3 P29371 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL4910944 0.92 IGF1R (0.50) ACP1MEN1KMT2AATMIGF1R
SCHEMBL4905125 0.92 IGF1R (0.45) ACP1MEN1KMT2AIGF1RCA12
SCHEMBL4908990 0.91 MAPT (0.42) MEN1KMT2AIGF1RMAPTGAA
SCHEMBL4907206 0.89 MEN1 (0.42) ACP1MEN1KMT2AIGF1RMAPT
SCHEMBL4911336 0.88 MEN1 (0.49) ACP1MEN1KMT2AIGF1RCA12
SCHEMBL4910632 0.87 MAPT (0.42) MEN1KMT2AIGF1RMAPTGAA
SCHEMBL4911280 0.87 MAPT (0.44) ACP1MEN1KMT2AIGF1RTACR3
SCHEMBL4909868 0.85 CYP3A4 (0.48) ACP1MEN1KMT2AMAPTGAA
SCHEMBL4906245 0.84 MAPT (0.42) ACP1MEN1KMT2AIGF1RMAPT
SCHEMBL4910558 0.84 MAPT (0.44) ACP1MEN1KMT2AIGF1RMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ACP1 816/4885MEN1 4701/4885KMT2A 876/4885

“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.