SCHEMBL1831147

SCHEMBL1831147

Cn1c(-c2noc(N3CCN(C(=O)O)CC3)n2)nc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 6/20 0.54
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ERG P11308 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FAAH O00519 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
SCHEMBL1833368 0.92 SMO (0.54) SMOHTTMAPTLMNANPC1
SCHEMBL1830468 0.85 SMO (0.71) SMOHTTMAPTLMNANPC1
Hydrochloric Acid SCHEMBL1837642 0.82 SMO (0.43) SMOMAPTKCNH2
Hydrochloric Acid SCHEMBL1831842 0.74 SMO (0.43) SMOKCNH2POLB
Trifluoroacetic Acid SCHEMBL2158300 0.73 SMO (0.74) SMOHTTMAPTLMNAERG
SCHEMBL2158475 0.72 HDAC1 (0.44) MAPTLMNANPC1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL1831949 0.70 SMO (0.57) SMOMAPTNPC1MEN1KMT2A
SCHEMBL2158836 0.70 SMO (1.00) SMOMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1830874 0.67 SMO (0.74) SMOERG
SCHEMBL1832319 0.66 SMO (0.69) SMOERGKCNH2

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 SMO 2/4885HTT 3454/4885MAPT 883/4885

“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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