SCHEMBL4907199

SCHEMBL4907199

Cc1ccccc1-c1cc(-c2cc(NC(=O)NN)ccc2N(CCCl)CCCl)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HCRTR1 O43613 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4911329 0.90 MEN1 (0.46) TACR3KMT2AMEN1POLBHTT
SCHEMBL4914080 0.89 TACR3 (0.41) TACR3KMT2AMEN1POLBHTT
SCHEMBL4909862 0.89 MAPT (0.42) TACR3KMT2AMEN1HTTCYP3A4
SCHEMBL4910370 0.89 TACR3 (0.45) TACR3KMT2AMEN1POLBHTT
SCHEMBL4912443 0.89 CYP3A4 (0.46) TACR3KMT2AMEN1POLBHTT
SCHEMBL4913421 0.87 MEN1 (0.44) KMT2AMEN1POLBHTTALDH1A1
SCHEMBL4908802 0.87 MEN1 (0.42) KMT2AMEN1POLBHTTALDH1A1
SCHEMBL4908689 0.86 MEN1 (0.50) KMT2AMEN1POLBHTTALDH1A1
SCHEMBL4910685 0.86 MAPT (0.40) TACR3KMT2AMEN1POLBHTT
SCHEMBL4911742 0.86 MEN1 (0.40) KMT2AMEN1POLBHTTALDH1A1

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 TACR3 3450/4885KMT2A 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.