SCHEMBL16020545

SCHEMBL16020545

Cc1ocnc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.52
▸ ORAI1 Q96D31 4/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GRM1 Q13255 8/20 0.43
▸ GRM4 Q14833 6/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ POLQ O75417 1/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL16020533 0.90 STIM1 (0.52) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16019781 0.89 KDM4E (0.58) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885674 0.86 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885567 0.86 STIM1 (0.66) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881583 0.85 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885575 0.85 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16020544 0.84 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018140 0.83 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018214 0.83 STIM1 (0.55) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018201 0.83 STIM1 (0.52) STIM1ORAI1ORAI2NPC1RAB9A

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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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-20140256745-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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