SCHEMBL17600656

SCHEMBL17600656

CCOC(=O)c1[nH]c2ccc(C(F)(F)F)cc2c1-c1ccc(OC)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 1/20 0.48
XBP1 P17861 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
PADI4 Q9UM07 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
PDE5A O76074 1/20 0.41
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4022882 0.84 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2806847 0.83 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL1356850 0.81 ALDH1A1 (0.70) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL5268234 0.78 BRD4 (0.44) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL4023351 0.78 MMP2 (0.52) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL17600650 0.74 KDM4E (0.50) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL11551322 0.73 ALDH1A1 (0.66) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL9274444 0.73 GPR35 (0.49) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL22346686 0.73 ALOX15 (0.59) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL5212633 0.72 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572794-B2 Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists VANDERBILT UNIVERSITY (US) 2017-02-21 US disclosed
US-20160083363-A1 Substituted Indoles as Selective Protease Activated Receptor 4 (PAR-4) Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 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 (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-20160083363-A1 Substituted Indoles as Selective Protease Activated Receptor 4 (PAR-4) Antagonists F2RL3, F2R, F2RL1 ALDH1A1 3242/4885HPGD 1136/4885CYP1A2 1003/4885

“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.