SCHEMBL12241434

SCHEMBL12241434

Cc1ccc(F)c(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.46
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ STIM1 Q13586 2/20 0.40
▸ ORAI1 Q96D31 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 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
SCHEMBL12155513 0.92 NPC1 (0.42) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12241439 0.87 IL2 (0.44) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1702038 0.87 SMN1; SMN2 (0.52) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12155617 0.85 RAB9A (0.43) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12156208 0.85 NPC1 (0.44) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12156237 0.85 NPC1 (0.43) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12241433 0.85 NPC1 (0.46) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12155497 0.84 ABL1 (0.43) IL2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12155520 0.83 L3MBTL1 (0.47) IL2NPC1RAB9ASMN1; SMN2STIM1
SCHEMBL12155603 0.82 IL2 (0.43) IL2NPC1RAB9ASMN1; SMN2MAPT

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 IL2 3716/4885NPC1 262/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885NPC1 262/4885RAB9A 1174/4885

“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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