SCHEMBL16708178

SCHEMBL16708178

COc1cc(Br)cc2cc(C(=O)CBr)oc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.72
MAOB P27338 2/20 0.47
PIM2 Q9P1W9 6/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
F2RL3 Q96RI0 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL7380636 0.84 PIM1 (0.78) PIM1MAOBPIM2TP53MAPT
SCHEMBL7382658 0.84 PIM1 (1.00) PIM1MAOBPIM2TP53MAPT
SCHEMBL7389995 0.81 PIM1 (0.68) PIM1MAOBPIM2TP53MAPT
SCHEMBL219330 0.80 LMNA (0.69) MAPTKMT2AMEN1LMNARECQL
SCHEMBL16710650 0.78 PIM1 (0.43) PIM1MAOBMAPTF2RL3KMT2A
SCHEMBL15349582 0.76 LMNA (0.49) PIM1MAPTF2RL3KMT2AMEN1
SCHEMBL16710637 0.75 ALDH1A1 (0.46) PIM1MAOBTP53F2RL3KMT2A
SCHEMBL15349427 0.74 PIM1 (0.40) PIM1F2RL3KMT2AMEN1LMNA
SCHEMBL15359351 0.74 PIM1 (0.40) PIM1PIM2MAPTLMNARECQL
SCHEMBL16708177 0.73 F2RL3 (0.45) PIM1MAPTF2RL3KMT2AMEN1

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 4 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
EP-2847200-B1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP 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
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 PIM1 2132/4885MAOB 2077/4885PIM2 2558/4885

“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.