SCHEMBL2158643

SCHEMBL2158643

O=C(CC1CCCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMO Q99835 18/20 1.00
KCNH2 Q12809 1/20 0.61

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
SCHEMBL1841807 0.83 SMO (1.00) SMO
SCHEMBL20116326 0.82 SMO (0.69) SMOKCNH2
SCHEMBL30506340 0.82 SMO (0.69) SMOKCNH2
SCHEMBL2158684 0.80 SMO (0.78) SMOKCNH2
SCHEMBL2029168 0.78 SMO (0.65) SMO
SCHEMBL389109 0.78 SMN1; SMN2 (0.69) SMOKCNH2
SCHEMBL2026313 0.77 TSHR (0.64) SMO
SCHEMBL20116674 0.77 SMO (0.74) SMO
SCHEMBL2157965 0.76 SMO (1.00) SMO
SCHEMBL1841805 0.76 SMO (0.61) SMOKCNH2

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 2/4885KCNH2 3528/4885

“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.