SCHEMBL16708124

SCHEMBL16708124

Cc1ccc2cc(C(=O)CBr)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FLT3 P36888 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TSHR P16473 2/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL16708233 0.87 TAS1R3 (0.53) GSK3BNPC1RAB9AALDH1A1MAPT
SCHEMBL16708198 0.81 CA12 (0.48) GSK3BNPC1RAB9AALDH1A1MAPT
SCHEMBL16708176 0.81 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL29810733 0.81 CA12 (0.48) GSK3BNPC1RAB9AALDH1A1MAPT
SCHEMBL16710581 0.80 CYP2D6 (0.57) GSK3BNPC1ALDH1A1MAPTHPGD
SCHEMBL13155417 0.80 ALDH1A1 (0.54) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL5599845 0.80 PIM1 (0.54) NPC1RAB9AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL11744549 0.78 PIM1 (0.53) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL11744545 0.78 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL243970 0.78 FLT3 (0.65) NPC1RAB9AALDH1A1MAPTHPGD

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-9862730-B2 Imidazothiadiazole derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
US-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2015-05-14 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-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 GSK3B 1150/4885NPC1 4386/4885RAB9A 2605/4885

“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.