SCHEMBL10201305

SCHEMBL10201305

Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.53
▸ ORAI1 Q96D31 3/20 0.53
▸ LCLAT1 Q6UWP7 8/20 0.48
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16900161 0.90 STIM1 (0.43) STIM1ORAI1LCLAT1KMT2AUSP2
SCHEMBL10201318 0.90 STIM1 (0.41) STIM1ORAI1LCLAT1L3MBTL1
SCHEMBL10201322 0.89 LCLAT1 (0.44) STIM1ORAI1LCLAT1NPC1RAB9A
SCHEMBL16900163 0.87 STIM1 (0.48) STIM1ORAI1LCLAT1ALDH1A1KMT2A
SCHEMBL10201306 0.86 STIM1 (0.54) STIM1ORAI1LCLAT1NPC1RAB9A
SCHEMBL10201296 0.85 STIM1 (0.71) STIM1ORAI1NPC1RAB9AKDM4E
SCHEMBL10201067 0.84 STIM1 (0.75) STIM1ORAI1LCLAT1NPC1RAB9A
SCHEMBL10201298 0.82 STIM1 (0.56) STIM1ORAI1NPC1RAB9AKDM4E
SCHEMBL12155545 0.81 NPC1 (0.52) STIM1ORAI1LCLAT1NPC1RAB9A
SCHEMBL10201324 0.81 ADORA2A (0.38) STIM1ORAI1NPC1RAB9ACTDSP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885LCLAT1 570/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885LCLAT1 570/4885

“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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