SCHEMBL16018228

SCHEMBL16018228

Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.49
▸ ORAI1 Q96D31 3/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ORAI2 Q96SN7 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ DGAT1 O75907 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1E P49674 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
SCHEMBL14885675 0.91 MEN1 (0.50) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL16018202 0.90 STIM1 (0.61) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL16017242 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL16018139 0.88 STIM1 (0.49) STIM1ORAI1MEN1KMT2ANPSR1
SCHEMBL16018220 0.82 STIM1 (0.49) STIM1ORAI1ALDH1A1ORAI2SMN1; SMN2
SCHEMBL16018234 0.82 STIM1 (0.51) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL12155519 0.82 STIM1 (0.57) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL12155946 0.81 NPC1 (0.59) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL16572599 0.81 STIM1 (0.49) STIM1ORAI1ORAI2GAANPC1
SCHEMBL12155449 0.80 STIM1 (0.57) STIM1ORAI1ALDH1A1ORAI2SMN1; SMN2

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-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
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 1/4885MEN1 2958/4885

“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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