SCHEMBL16101098

SCHEMBL16101098

Oc1nc(OC2CCCc3ccccc32)nc2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ KDM4C Q9H3R0 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ KDM5A P29375 2/20 0.36
▸ KDM5B Q9UGL1 2/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 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
SCHEMBL16103116 0.93 IDO1 (0.40) IDO1KDM4CALDH1A1TSHRGBA1
SCHEMBL16100511 0.82 KDM4C (0.45) KDM4CALDH1A1TSHRGBA1KDM5A
SCHEMBL16097524 0.79 LRRK2 (0.33) KDM4C
SCHEMBL16103487 0.77 ROCK1 (0.41) IDO1KDM4CGBA1
SCHEMBL16128722 0.77 KDM4C (0.44) KDM4CGBA1KDM5AKDM5B
SCHEMBL17517203 0.76 KDM4C (0.52) KDM4C
SCHEMBL29542558 0.74 KDM4C (0.69) KDM4CKDM5AKDM5B
SCHEMBL17602194 0.74 KDM4C (0.69) KDM4CKDM5AKDM5B
SCHEMBL17615747 0.74 KDM4C (0.46) KDM4CALDH1A1KDM5AKDM5BMEN1
SCHEMBL17623926 0.71 KDM4C (0.66) KDM4CKDM5AKDM5B

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 13 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
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
EP-2970211-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO 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 IDO1 262/4885KDM4C 9/4885ALDH1A1 392/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C IDO1 262/4885KDM4C 9/4885ALDH1A1 392/4885

“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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