SCHEMBL984423

SCHEMBL984423

COC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.55
ORAI1 Q96D31 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44
TRPC1 P48995 1/20 0.43
TRPC3 Q13507 1/20 0.43
CRACR2A Q9BSW2 3/20 0.42
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
FLT3 P36888 2/20 0.39
MELK Q14680 2/20 0.39
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
MYLK Q15746 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ABCB1 P08183 2/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL3554294 0.88 STIM1 (0.49) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL3551407 0.78 STIM1 (0.41) STIM1ORAI1L3MBTL1TRPC1TRPC3
SCHEMBL986197 0.77 TYK2 (0.42) STIM1ORAI1L3MBTL1LMNANPC1
SCHEMBL985021 0.76 STIM1 (0.53) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL14117304 0.73 STIM1 (0.48) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL986498 0.73 STIM1 (0.50) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL8234740 0.72 STIM1 (0.48) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL986374 0.72 NPC1 (0.56) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL18027793 0.72 STIM1 (0.57) STIM1ORAI1L3MBTL1LMNATRPC1
SCHEMBL985873 0.71 STIM1 (0.52) STIM1ORAI1L3MBTL1LMNATRPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729069-B2 Tetrahydropyridine, tetrahydroazepine, and dihydropyrrole derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-05-20 US disclosed
US-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-01-20 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 (1 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-20110015184-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 STIM1 1607/4885ORAI1 1772/4885L3MBTL1 1338/4885

“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.