SCHEMBL17544480

SCHEMBL17544480

CCc1cnc(C)n1Cc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 16/20 0.43
▸ CYP3A4 P08684 16/20 0.43
▸ ALDH1A1 P00352 13/20 0.43
▸ HSD17B10 Q99714 12/20 0.43
▸ TSHR P16473 11/20 0.43
▸ HIF1A Q16665 5/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2D6 P10635 9/20 0.42
▸ USP2 O75604 8/20 0.42
▸ CYP2C19 P33261 6/20 0.42
▸ CYP2C9 P11712 6/20 0.42
▸ CASP1 P29466 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL17544827 0.81 CYP2C19 (0.42) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL17544745 0.80 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL17544773 0.71 L3MBTL1 (0.39) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL10235421 0.70 MAPK1 (0.33) ALDH1A1HSD17B10TSHRMAPK1CYP2C19
SCHEMBL27528035 0.70 HSP90AA1 (0.46) ALDH1A1HSD17B10TSHRLMNAHPGD
SCHEMBL24442277 0.68 ALDH1A1 (0.35) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL11164347 0.67 CYP1A2 (0.45) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL10233670 0.66 ALDH1A1 (0.39) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL91161 0.66 — —
SCHEMBL266418 0.65 RAB9A (0.54) ALDH1A1HSD17B10TSHRMAPK1LMNA

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 5 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
CN-107074807-A Compositions and methods for inhibiting histone demethylase 吉利德科学公司 2017-08-18 — — CN 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
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 CYP1A2 1743/4885CYP3A4 3198/4885ALDH1A1 802/4885

“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