SCHEMBL4913202

SCHEMBL4913202

COc1ccc2nc(-c3ccc(O)c(OC)c3)cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
CA9 Q16790 7/20 0.44
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PLA2G2A P14555 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 2/20 0.37
THRB P10828 1/20 0.37
PIM1 P11309 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4912691 0.91 PLA2G2A (0.46) CA2CA9CA12CA1KDM4E
SCHEMBL4913292 0.91 ATM (0.40) CA2CA9CA12CA1KDM4E
SCHEMBL4912416 0.89 ALDH1A1 (0.49) CA2CA9CA12CA1KDM4E
SCHEMBL4909242 0.88 PLA2G2A (0.42) CA2CA9CA12CA1KDM4E
SCHEMBL4909819 0.87 CA9 (0.49) CA2CA9CA12CA1KDM4E
SCHEMBL4911039 0.86 MAPT (0.43) CA2CA9CA12CA1KDM4E
SCHEMBL4909318 0.85 PLA2G2A (0.49) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4912876 0.85 TACR3 (0.42) KDM4EKMT2AMEN1PLA2G2A
SCHEMBL4910397 0.84 KDM4E (0.49) CA2CA9CA12CA1KDM4E
SCHEMBL4914093 0.84 MEN1 (0.48) KDM4EALDH1A1MAPTHPGDKMT2A

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 CA2 201/4885CA9 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.