SCHEMBL17898983

SCHEMBL17898983

COC(=O)c1cc(-c2c(C)nnn2Cc2ccc(OC)cc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.46
▸ ALOX15 P16050 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AKR1C3 P42330 8/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ERCC5 P28715 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL19383313 0.86 AKR1C3 (0.48) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL17898987 0.85 MMP13 (0.46) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL17898982 0.84 TOP2A (0.42) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL17898981 0.82 TOP2A (0.43) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL19383312 0.80 AKR1C3 (0.48) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL1412402 0.77 ALOX15 (0.52) ALOX15L3MBTL1AKR1C3KDM4EPOLB
SCHEMBL17891713 0.76 MMP13 (0.47) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL30589248 0.76 MMP13 (0.47) MMP13ALOX15L3MBTL1AKR1C3TOP2A
SCHEMBL13188759 0.73 DYRK1A (0.58) L3MBTL1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL30071507 0.73 CYP3A4 (0.49) ALOX15L3MBTL1TOP2AALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 — — US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 — — US disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 — — 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 (2 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-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B MMP13 1320/4885ALOX15 2680/4885L3MBTL1 438/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B MMP13 1320/4885ALOX15 2680/4885L3MBTL1 438/4885

“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.

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