SCHEMBL2158475

SCHEMBL2158475

Cn1c(-c2noc(C(Cl)(Cl)Cl)n2)nc2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.44
▸ HDAC6 Q9UBN7 8/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KCNK13 Q9HB14 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 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
SCHEMBL2158212 0.90 CYP11B2 (0.46) HDAC1HDAC6HDAC8HDAC5RPS6KA5
Hydrochloric Acid SCHEMBL1837642 0.75 SMO (0.43) MAPTPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1831147 0.72 SMO (0.54) MAPTNPC1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8052547 0.68 RAB9A (0.59) HDAC1MAPTNPC1RAB9AATM
SCHEMBL17896717 0.67 MEN1 (0.62) HDAC1HDAC6HDAC8CYP11B1CYP11B2
SCHEMBL4958154 0.67 TP53 (0.52) HDAC1HDAC6HDAC8NPC1RAB9A
SCHEMBL194305 0.67 SMN1; SMN2 (0.58) MAPTNPC1RAB9APIK3CAPIK3CB
SCHEMBL103416 0.66 PIK3CD (0.47) HDAC1HDAC6HDAC8HDAC5RPS6KA5
Hydrochloric Acid SCHEMBL1831842 0.65 SMO (0.43) CYP11B1CYP11B2PIK3CBPIK3CDKCNH2
SCHEMBL17896718 0.65 CYP11B2 (0.56) CYP11B1CYP11B2MAPTNPC1RAB9A

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 HDAC1 695/4885HDAC6 353/4885HDAC8 2274/4885

“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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