SCHEMBL12155503

SCHEMBL12155503

Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ TP53 P04637 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PTBP1 P26599 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ IL2 P60568 1/20 0.48
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL12241574 0.92 SMN1; SMN2 (0.47) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12155511 0.88 NPC1 (0.58) RAB9ANPC1TP53ALDH1A1SMN1; SMN2
SCHEMBL12155769 0.88 SMN1; SMN2 (0.49) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12155934 0.87 RAB9A (0.48) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL1702582 0.87 STIM1 (0.53) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12155796 0.87 IL2 (0.58) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12155614 0.86 SMN1; SMN2 (0.46) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12156047 0.86 RAB9A (0.46) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12155679 0.85 IL2 (0.47) RAB9ANPC1TP53ALDH1A1CYP1A2
SCHEMBL12155587 0.84 NPC1 (0.56) RAB9ANPC1TP53ALDH1A1CYP1A2

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 11 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
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 RAB9A 1174/4885NPC1 262/4885TP53 2681/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885TP53 2681/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885TP53 2681/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885TP53 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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