SCHEMBL1828387

SCHEMBL1828387

COc1ccc(C(C)=O)cc1-c1ccc(NC(=O)c2snnc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 3/20 0.47
▸ ABL1 P00519 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPSE Q9Y251 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ORAI1 Q96D31 2/20 0.44
▸ STIM1 Q13586 1/20 0.44
▸ TRPC3 Q13507 1/20 0.43
▸ TRPC5 Q9UL62 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SYK P43405 2/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ INCENP Q9NQS7 1/20 0.43

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
SCHEMBL1827209 0.88 ORAI1 (0.56) LMNAALDH1A1MAPTABL1GAA
SCHEMBL16363177 0.85 LMNA (0.52) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL2785129 0.84 MAPT (0.41) ALDH1A1MAPTABL1NPC1RAB9A
SCHEMBL8263207 0.81 IMPDH2 (0.48) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL6127884 0.78 IL2 (0.54) LMNAALDH1A1
SCHEMBL7972108 0.76 LMNA (0.84) LMNAALDH1A1KDM4EGAANPC1
SCHEMBL1827870 0.76 POLB (0.53) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL8299313 0.75 LMNA (0.49) LMNAALDH1A1KDM4EGAANPC1
SCHEMBL5033859 0.74 LMNA (0.54) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL2787427 0.73 STIM1 (0.48) ALDH1A1MAPTABL1KDM4EGAA

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 7 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
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES 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 LMNA 1685/4885ALDH1A1 1952/4885MAPT 1416/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 LMNA 1685/4885ALDH1A1 1952/4885MAPT 1416/4885

“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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