SCHEMBL12155983

SCHEMBL12155983

Cc1ccccc1C(=O)Nc1ccc(-c2c(C(F)(F)F)sc3c2CCC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ FLT3 P36888 1/20 0.45
▸ DCTPP1 Q9H773 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 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
SCHEMBL12241334 0.98 NPC1 (0.47) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12155975 0.91 MEN1 (0.49) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12241341 0.89 NPC1 (0.48) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12241324 0.88 NPC1 (0.53) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12155967 0.87 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12155483 0.86 NPC1 (0.53) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12241338 0.85 FLT3 (0.47) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12155945 0.84 MEN1 (0.43) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL12155951 0.82 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL12155976 0.82 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
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 (4 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885

“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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