SCHEMBL6367251

SCHEMBL6367251

COc1ccc(C2=CCN(CCCC#N)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
PARP1 P09874 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.47
SUV39H2 Q9H5I1 1/20 0.43
KCNA3 P22001 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
SCHEMBL6434881 0.87 SIGMAR1 (0.57) SIGMAR1PARP1HTR1AKCNA3
SCHEMBL6367491 0.84 SIGMAR1 (0.44) SIGMAR1PPARGPPARAKCNA3
SCHEMBL18936739 0.84 SIGMAR1 (0.66) SIGMAR1PARP1PPARGPPARAMEN1
SCHEMBL6368539 0.83 KCNA3 (0.57) SIGMAR1PARP1HTR1AKCNA3
SCHEMBL5536604 0.83 SIGMAR1 (0.65) SIGMAR1PARP1PPARGPPARAMEN1
SCHEMBL6373059 0.83 SIGMAR1 (0.61) SIGMAR1PARP1PPARGPPARAHTR1A
SCHEMBL6372796 0.83 SIGMAR1 (0.58) SIGMAR1PARP1MEN1KMT2AKCNA3
SCHEMBL6372804 0.82 KCNA3 (0.60) SIGMAR1HTR1AKCNA3
SCHEMBL5541688 0.82 SIGMAR1 (0.67) SIGMAR1PARP1PPARGPPARAMEN1
SCHEMBL5539408 0.81 SIGMAR1 (0.62) SIGMAR1PARP1PPARGPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 SIGMAR1 3797/4885PARP1 1/4885PPARG 3444/4885

“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.