SCHEMBL12241719

SCHEMBL12241719

Cc1ccccc1C(=O)Nc1ccc(-c2cc3c(cc2C)CCC3(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ABL1 P00519 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ STIM1 Q13586 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ IL2 P60568 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL12241722 0.92 NPC1 (0.54) NPC1RAB9ATP53MAPK1ALOX15
SCHEMBL12241737 0.87 NPC1 (0.44) NPC1RAB9ATP53MAPK1ALOX15
SCHEMBL12155865 0.86 NPC1 (0.53) NPC1RAB9ATP53MAPK1ALOX15
SCHEMBL12241721 0.85 IL2 (0.53) NPC1RAB9ATP53ABL1ALDH1A1
SCHEMBL12156318 0.83 NPC1 (0.57) NPC1RAB9ATP53MAPK1ALOX15
SCHEMBL16572603 0.83 IL2 (0.44) NPC1RAB9AABL1ALDH1A1STIM1
SCHEMBL12156049 0.83 NPC1 (0.56) NPC1RAB9ATP53MAPK1ALOX15
SCHEMBL12241729 0.82 ABL1 (0.48) NPC1RAB9ATP53ALOX15ABL1
SCHEMBL12241731 0.80 SMN1; SMN2 (0.47) NPC1RAB9ATP53HTTABL1
SCHEMBL12155845 0.78 NPC1 (0.54) NPC1RAB9ATP53MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885

“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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