SCHEMBL2158262

SCHEMBL2158262

O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc4ccccc4[n+]3OC(=O)C(F)(F)F)no2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.59
SMN1; SMN2 Q16637 3/20 0.42
DGAT1 O75907 1/20 0.40
ERG P11308 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES O14684 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL2158209 0.92 SMO (0.61) SMOERG
SCHEMBL14716247 0.86 SMN1; SMN2 (0.42) SMOSMN1; SMN2
SCHEMBL1459244 0.85 SMO (0.46) SMOSMN1; SMN2DGAT1MAPTGFER
SCHEMBL14716443 0.83 SMN1; SMN2 (0.42) SMOSMN1; SMN2DGAT1CYP1A2CYP3A4
SCHEMBL2158490 0.82 SMO (0.52) SMODGAT1ERGPTGES
Trifluoroacetic Acid SCHEMBL2158258 0.77 SMO (0.88) SMOERG
SCHEMBL2159047 0.71 SMO (0.55) SMOSMN1; SMN2DGAT1MEN1CYP1A2
SCHEMBL2158836 0.70 SMO (1.00) SMOSMN1; SMN2ERGMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2158204 0.69 SMO (0.90) SMOERG
SCHEMBL1460137 0.67 CNR2 (0.41)

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 2/4885SMN1; SMN2 518/4885DGAT1 3918/4885

“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.