SCHEMBL4910059

SCHEMBL4910059

Cc1cc(-c2cc(NC(=O)NN)ccc2N(CCCl)CCCl)c2ccc(Cl)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.40
GNB1 P62873 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
NR4A2 P43354 1/20 0.37
POLB P06746 1/20 0.36
AGPAT2 O15120 2/20 0.36
CRHR1 P34998 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
OPRL1 P41146 1/20 0.35
STARD7 Q9NQZ5 1/20 0.34
PCTP Q9UKL6 1/20 0.34
STARD10 Q9Y365 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL4912687 0.93 GNG2 (0.43) GNG2GNB1KMT2AMEN1MMP1
SCHEMBL4943382 0.91 GNG2 (0.40) GNG2GNB1KMT2AMEN1MMP1
SCHEMBL4911269 0.88 IGF1R (0.40) GNG2GNB1KMT2AMEN1MMP1
SCHEMBL4915549 0.84 GNG2 (0.42) GNG2GNB1KMT2AMEN1MMP1
SCHEMBL4908802 0.81 MEN1 (0.42) KMT2AMEN1POLBAGPAT2
SCHEMBL4908689 0.80 MEN1 (0.50) KMT2AMEN1POLB
SCHEMBL4913215 0.80 CNR1 (0.43) KMT2AMEN1POLB
SCHEMBL4912939 0.79 MAPT (0.47) KMT2AMEN1POLBPDGFRBKDR
SCHEMBL4910685 0.78 MAPT (0.40) KMT2AMEN1POLB
SCHEMBL4907199 0.78 TACR3 (0.41) KMT2AMEN1POLB

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 GNG2 2802/4885GNB1 2034/4885KMT2A 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.