SCHEMBL2158192

SCHEMBL2158192

Cn1c(/C(N)=N/O)nc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 7/20 0.46
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACSS2 Q9NR19 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ MPO P05164 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.34
▸ GSR P00390 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
SCHEMBL2158193 1.00 PCSK9 (0.46) PCSK9CYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL2159170 0.88 ALDH1A1 (0.40) PCSK9ALDH1A1SMN1; SMN2POLBMPO
SCHEMBL2159173 0.88 ALDH1A1 (0.40) PCSK9ALDH1A1SMN1; SMN2POLBMPO
SCHEMBL2158194 0.73 PCSK9 (0.46) PCSK9CYP11B1CYP11B2ACSS2POLB
SCHEMBL30621949 0.73 CYP11B1 (0.50) PCSK9CYP11B1CYP11B2ACSS2POLB
SCHEMBL2857716 0.70 NPC1 (0.46) PCSK9ALDH1A1POLBMEN1HCRTR1
SCHEMBL2634929 0.69 SMN1; SMN2 (0.58) PCSK9CYP11B1CYP11B2SMN1; SMN2ACSS2
SCHEMBL28463862 0.69 CYP11B1 (0.50) PCSK9CYP11B1CYP11B2ACSS2MEN1
SCHEMBL3970030 0.69 CYP11B1 (0.50) PCSK9CYP11B1CYP11B2ACSS2MEN1
SCHEMBL1833960 0.69 CYP11B2 (0.47) PCSK9CYP11B1CYP11B2ACSS2POLB

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 PCSK9 4731/4885CYP11B1 708/4885CYP11B2 601/4885

“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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