SCHEMBL13756286

SCHEMBL13756286

COCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ PPARA Q07869 1/20 0.45
▸ KDR P35968 1/20 0.44
▸ TEK Q02763 1/20 0.44
▸ IDO1 P14902 3/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL14417158 0.91 KIF11 (0.48) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL2056329 0.83 RAB9A (0.56) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL20781811 0.80 CYP11B1 (0.50) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL9351438 0.80 SMN1; SMN2 (0.58) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL1549725 0.80 PPARA (0.50) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL30633001 0.80 PPARA (0.50) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL1550000 0.80 CYP11B1 (0.49) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL6260766 0.79 CYP11B1 (0.46) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL4717378 0.79 PPARA (0.53) CYP11B1CYP11B2MAOBKDM1APPARA
SCHEMBL14241370 0.79 CYP11B1 (0.46) CYP11B1CYP11B2MAOBKDM1APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 — — 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-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 CYP11B1 215/4885CYP11B2 231/4885MAOB 606/4885

“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.

Send feedback