SCHEMBL17686456

SCHEMBL17686456

Cn1nc2ccc(Cl)cc2c1-c1cc2ncccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.39
ATAD2 Q6PL18 1/20 0.38
NR4A2 P43354 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DAO P14920 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
CBFB Q13951 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
SCHEMBL17686455 0.90 KDM4C (0.60) KDM4CPTGDR2ATAD2NR4A2HRH4
SCHEMBL17686450 0.80 KDM4C (0.61) KDM4CPTGDR2ATAD2NR4A2HRH4
SCHEMBL17686461 0.75 KDM4C (0.62) KDM4CPTGDR2ATAD2NR4A2HRH4
SCHEMBL17610169 0.75 KDM4C (1.00) KDM4C
SCHEMBL19580369 0.74 KDM4C (0.49) KDM4CHRH4KDM4ESMN1; SMN2
SCHEMBL22102705 0.70 NR4A2 (0.42) ATAD2NR4A2TRPV1DAONPC1
SCHEMBL17686470 0.68 KDM4C (0.61) KDM4CPTGDR2ATAD2HRH4DAO
SCHEMBL17686466 0.68 KDM4C (0.61) KDM4CPTGDR2ATAD2HRH4DAO
SCHEMBL16433109 0.67 KDM4C (0.45) KDM4C
SCHEMBL17610206 0.66 KDM4C (1.00) KDM4C

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-9758517-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-12 US disclosed
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 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-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4C 12/4885PTGDR2 3279/4885ATAD2 669/4885

“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.