SCHEMBL2158209

SCHEMBL2158209

O=C(NC1CCC(F)(F)CC1)N1CCN(c2nc(-c3ccc4ccccc4[n+]3OC(=O)C(F)(F)F)no2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.61
ERG P11308 1/20 0.38
FAAH O00519 1/20 0.36
NAMPT P43490 1/20 0.34

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
SCHEMBL2158262 0.92 SMO (0.59) SMOERG
SCHEMBL2158490 0.90 SMO (0.52) SMOERG
SCHEMBL14716247 0.79 SMN1; SMN2 (0.42) SMOFAAH
SCHEMBL1459244 0.78 SMO (0.46) SMO
Trifluoroacetic Acid SCHEMBL2158204 0.77 SMO (0.90) SMOERG
SCHEMBL14716443 0.75 SMN1; SMN2 (0.42) SMOFAAH
Trifluoroacetic Acid SCHEMBL2158485 0.70 SMO (0.71) SMOERG
Trifluoroacetic Acid SCHEMBL2158258 0.69 SMO (0.88) SMOERG
Trifluoroacetic Acid SCHEMBL2158300 0.68 SMO (0.74) SMOERG
Trifluoroacetic Acid SCHEMBL2158347 0.68 SMO (0.74) SMOERG

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 2/4885ERG 2205/4885FAAH 4313/4885

“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.