SCHEMBL4910397

SCHEMBL4910397

COc1ccc(-c2cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c3ccccc3n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DHODH Q02127 6/20 0.48
ACACA Q13085 1/20 0.48
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 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
SCHEMBL4907492 0.92 MAPT (0.49) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4914093 0.90 MEN1 (0.48) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4910370 0.89 TACR3 (0.45) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4911300 0.89 KMT2A (0.47) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4909862 0.88 MAPT (0.42) KMT2AMEN1MAPTACACACA9
SCHEMBL4905121 0.88 CYP2D6 (0.44) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4912443 0.88 CYP3A4 (0.46) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4913307 0.87 MAPT (0.49) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4913215 0.87 CNR1 (0.43) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4908985 0.86 CA2 (0.49) KDM4EKMT2AMEN1MAPTALDH1A1

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 KDM4E 873/4885KMT2A 876/4885MEN1 4701/4885

“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.