SCHEMBL12241433

SCHEMBL12241433

Cc1cccc(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ TP53 P04637 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDCD1 Q15116 2/20 0.41
▸ CD274 Q9NZQ7 2/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ IL2 P60568 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
SCHEMBL12155512 0.90 MAPT (0.43) NPC1RAB9ATP53STIM1ORAI1
SCHEMBL12241440 0.90 NPC1 (0.47) NPC1RAB9ATP53MAPK1STIM1
SCHEMBL12241419 0.90 NPC1 (0.58) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL12241425 0.89 PDCD1 (0.47) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL12155618 0.89 NPC1 (0.46) NPC1RAB9ATP53MAPK1STIM1
SCHEMBL12156208 0.87 NPC1 (0.44) NPC1RAB9ATP53MAPK1STIM1
SCHEMBL12155497 0.86 ABL1 (0.43) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL12241418 0.86 NPC1 (0.52) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL12156250 0.85 SMN1; SMN2 (0.47) NPC1RAB9ATP53STIM1ORAI1
SCHEMBL12241426 0.85 NPC1 (0.44) NPC1RAB9ATP53MAPK1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20150322012-A1 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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