SCHEMBL5035524

SCHEMBL5035524

Cc1sc2cc(OCCNc3ccncn3)ccc2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.37
▸ SCN9A Q15858 10/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ MPL P40238 2/20 0.34
▸ SCN5A Q14524 1/20 0.33

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
SCHEMBL5040113 0.87 PPARD (0.36) F2SCN9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5038303 0.83 CYP2D6 (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5035534 0.82 PPARD (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5043139 0.81 BRAF (0.35) PPARDPPARA
SCHEMBL5039979 0.79 PPARD (0.41) SMN1; SMN2CYP3A4PPARDPPARA
SCHEMBL7044361 0.78 PPARD (0.40) PPARDPPARA
SCHEMBL5040082 0.78 PPARD (0.38) SMN1; SMN2PPARDPPARA
SCHEMBL5038699 0.76 PPARD (0.37) PPARDPPARA
SCHEMBL5040466 0.76 ESR1 (0.39) PPARDPPARA
SCHEMBL5045652 0.76 NOS1 (0.61) HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 — — US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 — — US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 — — US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 — — US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 — — EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 — — 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 (3 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 F2 3208/4885SCN9A 4489/4885SMN1; SMN2 4877/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 F2 2605/4885SCN9A 4746/4885SMN1; SMN2 4879/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 F2 2605/4885SCN9A 4746/4885SMN1; SMN2 4879/4885

“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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