SCHEMBL1171091

SCHEMBL1171091

c1cn(CCc2cc3[nH]ccc3o2)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.49
▸ CYP19A1 P11511 8/20 0.46
▸ CYP11B1 P15538 4/20 0.42
▸ CYP11B2 P19099 4/20 0.42
▸ TBXAS1 P24557 3/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL1171161 0.89 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2TBXAS1KMT2A
SCHEMBL3547546 0.70 HRH3 (0.38) HRH3CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL5041356 0.70 NPC1 (0.46) —
Hydrochloric Acid SCHEMBL3553023 0.69 HRH3 (0.37) HRH3CYP19A1TBXAS1KMT2AMEN1
SCHEMBL1170919 0.67 ALOX15 (0.39) KMT2AMEN1
SCHEMBL1171095 0.67 HTR1A (0.38) HRH3SMN1; SMN2
SCHEMBL5456305 0.64 TBXAS1 (0.46) CYP19A1TBXAS1KMT2A
SCHEMBL1552675 0.63 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL570591 0.62 CYP11B1 (0.66) CYP19A1CYP11B1TBXAS1KMT2A
SCHEMBL15179017 0.62 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — 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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 HRH3 1012/4885CYP19A1 834/4885CYP11B1 714/4885

“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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