SCHEMBL12155497

SCHEMBL12155497

Cc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ IL2 P60568 2/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12155603 0.90 IL2 (0.43) ABL1ALDH1A1NPC1RAB9ATP53
SCHEMBL12155501 0.88 NPC1 (0.43) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL12155615 0.88 RAB9A (0.48) ABL1ALDH1A1NPC1RAB9ATP53
SCHEMBL12241419 0.88 NPC1 (0.58) ABL1ALDH1A1HPGDNPC1RAB9A
SCHEMBL12156252 0.87 ABCB1 (0.53) ABL1NPC1RAB9ATP53MAPT
SCHEMBL12241433 0.86 NPC1 (0.46) ABL1ALDH1A1HPGDNPC1RAB9A
SCHEMBL12156251 0.86 RAB9A (0.44) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL12241435 0.85 RAB9A (0.47) ABL1ALDH1A1HPGDNPC1RAB9A
SCHEMBL12241434 0.84 IL2 (0.46) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL12155618 0.84 NPC1 (0.46) ABL1ALDH1A1NPC1RAB9ATP53

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
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
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 (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 ABL1 4066/4885ALDH1A1 4409/4885HPGD 1883/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885HPGD 1883/4885

“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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