SCHEMBL12181712

SCHEMBL12181712

Cc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 2/20 0.48
▸ USP2 O75604 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ORAI1 Q96D31 3/20 0.45
▸ TRPC3 Q13507 1/20 0.45
▸ TRPC5 Q9UL62 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CRACR2A Q9BSW2 3/20 0.42
▸ STIM1 Q13586 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.40

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
SCHEMBL14881337 0.90 LMNA (0.53) LMNAPOLBUSP2KDM4EORAI1
SCHEMBL16572599 0.88 STIM1 (0.49) LMNAPOLBUSP2KDM4EHTT
SCHEMBL15986065 0.88 LMNA (0.51) LMNAPOLBUSP2KDM4EHTT
SCHEMBL16017203 0.84 RAB9A (0.51) LMNAPOLBKDM4EHTTORAI1
SCHEMBL15164962 0.84 STIM1 (0.46) ORAI1MEN1KMT2ASTIM1ORAI2
SCHEMBL16363160 0.81 LMNA (0.57) LMNAPOLBUSP2KDM4EHTT
SCHEMBL16017234 0.80 HSD17B10 (0.50) LMNAPOLBUSP2HTTORAI1
SCHEMBL12156042 0.80 STIM1 (0.62) LMNAPOLBUSP2KDM4EHTT
SCHEMBL16017242 0.80 MEN1 (0.54) LMNAPOLBKDM4EHTTALDH1A1
SCHEMBL14887576 0.80 SCN10A (0.44) ORAI1STIM1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563759-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2022-04-06 — — EP disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
WO-2011139765-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-11-10 — — WO 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 (3 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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885POLB 4774/4885USP2 3918/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885POLB 4774/4885USP2 3918/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885POLB 4774/4885USP2 3918/4885

“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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