SCHEMBL758444

SCHEMBL758444

O=C(Nc1ccn(Cc2cc(Cl)ccc2Cl)n1)c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.53
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
RAB9A P51151 6/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
CACNA1G O43497 2/20 0.48
CACNA1H O95180 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
CACNA1C Q13936 1/20 0.47
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 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
SCHEMBL3439962 0.79 PTGER1 (0.50) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL695987 0.79 LMNA (0.56) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL755458 0.78 KDM4E (0.54) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL760780 0.78 STIM1 (0.49) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL758509 0.76 STIM1 (0.57) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL30096610 0.76 STIM1 (0.59) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL759178 0.76 STIM1 (0.56) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL758268 0.76 STIM1 (0.59) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL756325 0.75 LMNA (0.49) PTGER1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL758492 0.75 PTGER1 (0.61) PTGER1LMNANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US claimed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US claimed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E PTGER1 627/4885NPC1 1464/4885SMN1; SMN2 2239/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 PTGER1 247/4885NPC1 433/4885SMN1; SMN2 3063/4885

“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.