SCHEMBL4910370

SCHEMBL4910370

COc1ccccc1-c1cc(-c2cc(NC(=O)NN)ccc2N(CCCl)CCCl)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.45
CA9 Q16790 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
IGF1R P08069 1/20 0.40
DHODH Q02127 1/20 0.39
POLB P06746 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
ACP1 P24666 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL4905121 0.92 CYP2D6 (0.44) CA9CA12CA1CA2KMT2A
SCHEMBL4909819 0.92 CA9 (0.49) TACR3CA9CA12CA1CA2
SCHEMBL4908985 0.92 CA2 (0.49) CA9CA12CA1CA2KMT2A
SCHEMBL4907492 0.89 MAPT (0.49) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL4910397 0.89 KDM4E (0.49) CA9CA12CA1CA2KMT2A
SCHEMBL4907199 0.89 TACR3 (0.41) TACR3CA9CA12CA1CA2
SCHEMBL4911329 0.88 MEN1 (0.46) TACR3CA9CA12CA2KMT2A
SCHEMBL4914093 0.87 MEN1 (0.48) TACR3KMT2AMEN1POLBALDH1A1
SCHEMBL4914080 0.87 TACR3 (0.41) TACR3KMT2AMEN1POLBADORA3
SCHEMBL4909862 0.87 MAPT (0.42) TACR3CA9CA12CA1CA2

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 3450/4885CA9 182/4885CA12 612/4885

“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.