SCHEMBL1834403

SCHEMBL1834403

O=C(O)N1CCN(c2nc(-c3nc4ccccc4[nH]3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.47
▸ LANCL2 Q9NS86 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMO Q99835 4/20 0.44
▸ ERG P11308 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CXCR3 P49682 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL1832319 0.77 SMO (0.69) SMOERG
SCHEMBL1830468 0.74 SMO (0.71) TP53MAPTKMT2AMEN1SMO
SCHEMBL10289640 0.70 ATR (0.56) CXCR3
SCHEMBL3512987 0.68 MGLL (0.46) TP53MAPTKMT2AMEN1KDM4E
SCHEMBL17390003 0.68 HTR2B (0.57) HTR2BLANCL2KMT2AKDM4EALDH1A1
SCHEMBL2159096 0.67 NPC1 (0.51) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL5318590 0.67 GAA (0.67) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL16795300 0.67 DRD4 (0.67) KDM4EALDH1A1HPGDNPC1
SCHEMBL21043481 0.67 LANCL2 (0.66) HTR2BLANCL2TP53KMT2AMEN1
SCHEMBL1830934 0.67 SMO (0.56) MAPTSMOERGFAAHNPC1

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 3 patents. 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
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 — — EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 — — WO 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 HTR2B 1209/4885LANCL2 4046/4885TP53 401/4885

“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.

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