SCHEMBL16710552

SCHEMBL16710552

COCc1cccc(OCc2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
HTR1A P08908 2/20 0.57
DRD2 P14416 2/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR5A P47898 1/20 0.49
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
GPR132 Q9UNW8 1/20 0.48
MAOB P27338 2/20 0.47
SYK P43405 5/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
PARP10 Q53GL7 1/20 0.44
MAOA P21397 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
SCHEMBL2760047 0.86 ALDH1A1 (0.57) ABCB1HTR1ADRD2ALDH1A1MEN1
SCHEMBL16093382 0.84 ABCB1 (0.60) ABCB1HTR1ADRD2ALDH1A1MEN1
SCHEMBL9384981 0.83 GPBAR1 (0.62) ABCB1HTR1ADRD2ALDH1A1MEN1
SCHEMBL791890 0.83 FFAR1 (0.61) ABCB1HTR1ADRD2TLR4TLR2
SCHEMBL2736162 0.82 ALDH1A1 (0.53) ABCB1HTR1ADRD2ALDH1A1MEN1
SCHEMBL16710556 0.81 KCNH2 (0.47) MAOBFFAR1KCNH2
SCHEMBL2094987 0.80 MAOB (0.71) MAOBFFAR1MAOA
SCHEMBL13645800 0.80 KDM4E (0.55) ALDH1A1MEN1KMT2AHTR5ATLR4
SCHEMBL6089615 0.79 ABCB1 (0.46) ABCB1HTR1ADRD2ALDH1A1MEN1
SCHEMBL27234543 0.79 MGLL (0.46) ABCB1HTR1ADRD2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABCB1 1067/4885HTR1A 386/4885DRD2 569/4885

“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.