SCHEMBL17544827

SCHEMBL17544827

CCc1cnc(CO)n1Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 5/20 0.42
▸ CYP1A2 P05177 9/20 0.40
▸ CYP3A4 P08684 9/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ TSHR P16473 6/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HPGD P15428 4/20 0.39
▸ CASP1 P29466 4/20 0.39
▸ CASP7 P55210 3/20 0.39
▸ HIF1A Q16665 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AGTR1 P30556 2/20 0.38
▸ USP2 O75604 3/20 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
SCHEMBL17544480 0.81 CYP1A2 (0.43) CYP2C19CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL17544745 0.77 CYP1A2 (0.41) CYP2C19CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL17544941 0.71 ALDH1A1 (0.37) CYP1A2CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL17544773 0.71 L3MBTL1 (0.39) CYP2C19CYP1A2CYP3A4ALDH1A1TSHR
Alcohol SCHEMBL1765824 0.66 HPGD (0.47) CYP2C19ALDH1A1HPGDUSP2MEN1
SCHEMBL93009 0.63 — —
SCHEMBL91161 0.63 — —
Ammonia Solution, Strong SCHEMBL3574809 0.61 — —
Bromide SCHEMBL30954806 0.61 — —
SCHEMBL2950896 0.61 — —

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 CYP2C19 2634/4885CYP1A2 1743/4885CYP3A4 3198/4885

“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.

Send feedback