SCHEMBL17544642

SCHEMBL17544642

CC(C)c1cnc(C=O)n1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ RGS4 P49798 5/20 0.39
▸ RGS8 P57771 5/20 0.39
▸ CYP1A2 P05177 9/20 0.39
▸ CYP3A4 P08684 9/20 0.39
▸ CYP2C19 P33261 9/20 0.39
▸ TSHR P16473 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ USP2 O75604 6/20 0.39
▸ CYP2C9 P11712 7/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL17544768 0.89 RGS4 (0.40) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17544516 0.86 RGS4 (0.38) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17544852 0.79 AGTR1 (0.43) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17545038 0.78 LMNA (0.41) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17544853 0.77 LMNA (0.40) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17544851 0.77 LMNA (0.40) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17544587 0.76 LMNA (0.40) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17545035 0.73 PDE1A (0.40) LMNARGS4RGS8CYP1A2CYP3A4
SCHEMBL17544633 0.70 CYP11B1 (0.40) LMNACYP1A2CYP3A4CYP2C19TSHR
SCHEMBL17544474 0.66 CYP11B1 (0.59) —

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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 (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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 LMNA 1590/4885RGS4 3041/4885RGS8 1061/4885

“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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