SCHEMBL1825361

SCHEMBL1825361

CCOc1ccc(Cl)cc1-c1ccc(NC(=O)c2ccncc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ STIM1 Q13586 1/20 0.50
▸ ORAI1 Q96D31 1/20 0.50
▸ CYP11B2 P19099 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLQ O75417 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GCGR P47871 1/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 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
SCHEMBL1825942 0.89 KCNMA1 (0.64) KCNMA1STIM1ORAI1CYP11B2NPC1
SCHEMBL2785487 0.85 HTR2A (0.43) KCNMA1TAS1R3TAS1R1POLQRAB9A
SCHEMBL4761819 0.80 STIM1 (0.50) KCNMA1STIM1ORAI1CYP11B2ALDH1A1
SCHEMBL1826761 0.79 STIM1 (0.64) KCNMA1STIM1ORAI1ALDH1A1GAA
SCHEMBL16363182 0.78 STIM1 (0.61) KCNMA1STIM1ORAI1ALDH1A1MAPT
SCHEMBL1828278 0.78 ORAI1 (0.79) KCNMA1STIM1ORAI1NPC1GAA
SCHEMBL1823693 0.77 ORAI1 (0.81) KCNMA1STIM1ORAI1CYP11B2NPC1
SCHEMBL11513126 0.77 TAS1R3 (0.63) KCNMA1TAS1R3TAS1R1NPC1ALDH1A1
SCHEMBL16363188 0.76 SMN1; SMN2 (0.48) STIM1ORAI1CYP11B2NPC1MAPT
SCHEMBL16363189 0.75 STIM1 (0.44) STIM1ORAI1NPC1NPSR1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 — — EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 — — EP disclosed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 — — EP disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — WO 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 KCNMA1 2604/4885TAS1R3 3062/4885TAS1R1 2441/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 KCNMA1 2604/4885TAS1R3 3062/4885TAS1R1 2441/4885

“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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