SCHEMBL12241998

SCHEMBL12241998

Cc1cccc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.59
▸ ORAI1 Q96D31 3/20 0.59
▸ ORAI2 Q96SN7 1/20 0.59
▸ GRM5 P41594 4/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ IL2 P60568 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ IDE P14735 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KCNK9 Q9NPC2 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
SCHEMBL12155639 0.91 STIM1 (0.60) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16572267 0.89 STIM1 (0.57) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL17244771 0.87 STIM1 (0.57) STIM1ORAI1ORAI2GRM5NPC1
SCHEMBL1702182 0.84 STIM1 (0.77) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL12156041 0.83 STIM1 (0.61) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL18081993 0.83 STIM1 (0.84) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL1701611 0.82 STIM1 (0.65) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018246 0.81 STIM1 (0.56) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL1701748 0.81 STIM1 (0.64) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12156046 0.80 STIM1 (0.57) STIM1ORAI1ORAI2IL2

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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.

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