SCHEMBL17503671

SCHEMBL17503671

Oc1nc(OCc2ccccc2)nc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.54
▸ EGFR P00533 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ IKBKB O14920 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL16095992 0.89 KDM4C (0.45) KDM4CIKBKBMAPTCYP19A1CYP11B1
SCHEMBL17503684 0.89 KDM4C (0.46) KDM4CEGFRLMNAMAPTALDH1A1
SCHEMBL17615767 0.87 KDM4C (0.46) KDM4C
SCHEMBL16103138 0.86 KDM4C (0.41) KDM4CCYP1A2LMNAPTGS1CYP2C19
SCHEMBL17503751 0.86 KDM4C (0.43) KDM4CEGFRIDO1MAPTCYP19A1
SCHEMBL16128634 0.86 CYP17A1 (0.42) KDM4CCYP3A4
SCHEMBL16096988 0.85 MAOB (0.43) KDM4CPTGS1PTGS2IDO1
SCHEMBL16095991 0.83 TRPV1 (0.45) KDM4CIDO1
SCHEMBL16096648 0.82 KCNA5 (0.40) KDM4CIDO1IKBKBPDE5A
SCHEMBL17517205 0.82 KCNA3 (0.48) KDM4CMAPTALDH1A1TSHRLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US claimed
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — 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-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C KDM4C 9/4885EGFR 2920/4885CYP1A2 1867/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C KDM4C 9/4885EGFR 2920/4885CYP1A2 1867/4885

“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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