SCHEMBL3051682

SCHEMBL3051682

O=C(N(c1ccn(Cc2ccc(OCc3cccnc3)cc2C(F)(F)F)n1)c1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
GPR132 Q9UNW8 5/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RECQL P46063 1/20 0.35
VNN1 O95497 1/20 0.35
S1PR1 P21453 1/20 0.35
PRKX P51817 1/20 0.35
IKBKE Q14164 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CXCR3 P49682 1/20 0.35

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
SCHEMBL759111 0.92 STIM1 (0.40) STIM1ORAI1ORAI3VNN1CXCR3
SCHEMBL756041 0.92 STIM1 (0.42) STIM1ORAI1ORAI3LMNANPC1
SCHEMBL756530 0.87 STIM1 (0.42) STIM1ORAI1ORAI3LMNANPC1
SCHEMBL7893481 0.80 STIM1 (0.67) STIM1ORAI1ORAI3GPR132LMNA
Trifluoroacetic Acid SCHEMBL3051681 0.79 STIM1 (0.63) STIM1ORAI1ORAI3GPR132LMNA
SCHEMBL757059 0.76 SMN1; SMN2 (0.35) LMNANPC1HTTRAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL759110 0.72 STIM1 (0.62) STIM1ORAI1ORAI3LMNANPC1
SCHEMBL10241254 0.71 STIM1 (0.70) STIM1ORAI1ORAI3LMNANPC1
SCHEMBL30096587 0.71 STIM1 (0.73) STIM1ORAI1ORAI3LMNANPC1
SCHEMBL757315 0.71 STIM1 (0.73) STIM1ORAI1ORAI3LMNANPC1

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-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 (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-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.