SCHEMBL757059

SCHEMBL757059

O=C(N(c1ccn(Cc2cc(OCc3ccccn3)ccc2Cl)n1)c1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
PTGER1 P34995 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP10 Q53GL7 1/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SYK P43405 1/20 0.33
ALDH1A1 P00352 2/20 0.33
STAT3 P40763 2/20 0.33
MAPT P10636 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL756530 0.89 STIM1 (0.42) SMN1; SMN2HTTNPSR1LMNANPC1
Trifluoroacetic Acid SCHEMBL757058 0.78 STIM1 (0.52) SMN1; SMN2HTTNPSR1LMNAPTGER1
SCHEMBL7893967 0.77 STIM1 (0.52) SMN1; SMN2HTTNPSR1LMNAPTGER1
SCHEMBL756041 0.77 STIM1 (0.42) SMN1; SMN2HTTNPSR1LMNAPTGER1
SCHEMBL3051682 0.76 STIM1 (0.41) SMN1; SMN2HTTNPSR1LMNANPC1
SCHEMBL759111 0.70 STIM1 (0.40) P2RX7
SCHEMBL756524 0.69 STIM1 (0.52) SMN1; SMN2HTTNPSR1LMNAPTGER1
SCHEMBL7893849 0.68 STIM1 (0.69) SMN1; SMN2HTTNPSR1LMNAPTGER1
SCHEMBL758508 0.67 STIM1 (0.54) SMN1; SMN2HTTNPSR1LMNAPTGER1
Trifluoroacetic Acid SCHEMBL756529 0.67 STIM1 (0.65) SMN1; SMN2HTTNPSR1LMNAPTGER1

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 3 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 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 SMN1; SMN2 2239/4885HTT 2677/4885NPSR1 1293/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 SMN1; SMN2 3063/4885HTT 2082/4885NPSR1 1288/4885

“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.