SCHEMBL2158679

SCHEMBL2158679

CC1CC(c2nc(-c3ccc4ccccc4n3)no2)CCN1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 19/20 0.71
EPHX1 P07099 1/20 0.55
EPHX2 P34913 1/20 0.55
KCNH2 Q12809 1/20 0.55
CACNA1C Q13936 1/20 0.55

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
SCHEMBL1841805 0.78 SMO (0.61) SMOEPHX1EPHX2KCNH2CACNA1C
SCHEMBL20116674 0.78 SMO (0.74) SMO
SCHEMBL2158684 0.77 SMO (0.78) SMOEPHX1EPHX2KCNH2CACNA1C
SCHEMBL2158643 0.72 SMO (1.00) SMOKCNH2
SCHEMBL1841807 0.72 SMO (1.00) SMO
SCHEMBL1831380 0.71 SMO (0.72) SMOEPHX1EPHX2KCNH2CACNA1C
SCHEMBL20116326 0.71 SMO (0.69) SMOEPHX1EPHX2KCNH2CACNA1C
SCHEMBL30506340 0.71 SMO (0.69) SMOEPHX1EPHX2KCNH2CACNA1C
SCHEMBL20116328 0.71 EPHX2 (1.00) SMOEPHX1EPHX2KCNH2CACNA1C
SCHEMBL30506309 0.71 EPHX2 (1.00) SMOEPHX1EPHX2KCNH2CACNA1C

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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMO 2/4885EPHX1 2252/4885EPHX2 2020/4885

“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.