SCHEMBL561193

SCHEMBL561193

CCCOc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.56
PDE4D Q08499 1/20 0.52
NLRP3 Q96P20 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.41

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
SCHEMBL561142 0.95 PTGER1 (0.56) PTGER1PDE4DNLRP3SMN1; SMN2NPC1
SCHEMBL561589 0.90 PTGER1 (0.54) PTGER1PDE4DSMN1; SMN2NPC1RAB9A
SCHEMBL560938 0.89 PTGER1 (0.55) PTGER1PDE4DNLRP3SMN1; SMN2NPC1
SCHEMBL561269 0.88 PTGER1 (0.61) PTGER1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL562072 0.88 PTGER1 (0.56) PTGER1
SCHEMBL562199 0.88 PTGER1 (0.59) PTGER1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL560584 0.86 PTGER1 (0.72) PTGER1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL561981 0.86 PTGER1 (0.53) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL562105 0.85 PTGER1 (0.59) PTGER1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL560971 0.85 PTGER1 (0.53) PTGER1PDE4DSMN1; SMN2NPC1RAB9A

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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US claimed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC PTGER1 1951/4885PDE4D 703/4885NLRP3 689/4885

“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.