SCHEMBL17600650

SCHEMBL17600650

CCOC(=O)c1[nH]c2ccc(C(F)(F)F)cc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 3/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 2/20 0.48
HCRTR1 O43613 2/20 0.46
KIF11 P52732 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.45
XBP1 P17861 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL24482984 0.86 MEN1 (0.47) KDM4EALDH1A1MAPTNPC1GAA
SCHEMBL17600647 0.84 ALDH1A1 (0.57) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL2204971 0.83 KMT2A (0.56) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL22346686 0.83 ALOX15 (0.59) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL829961 0.83 ALDH1A1 (0.71) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL18531909 0.82 GAA (0.63) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL1356850 0.81 ALDH1A1 (0.70) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL39909 0.81 ALDH1A1 (0.66) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL6824483 0.79 MEN1 (0.54) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL8795255 0.79 ALOX15 (0.57) MAPT

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 6 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-9572794-B2 Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists VANDERBILT UNIVERSITY (US) 2017-02-21 US disclosed
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
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
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 KDM4E 962/4885ALDH1A1 3242/4885MAPT 3361/4885

“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.