SCHEMBL9945323

SCHEMBL9945323

Fc1ccc(C(c2ccc(F)cc2)n2ccnn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.68
NOTUM Q6P988 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP2C19 P33261 1/20 0.36
KEAP1 Q14145 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL9965135 0.82 CYP19A1 (0.70) CYP19A1NOTUMCYP2C19
SCHEMBL9945330 0.81 CYP19A1 (1.00) CYP19A1NOTUMCYP2C19
SCHEMBL5865736 0.80 CYP19A1 (1.00) CYP19A1IDO1CYP17A1
SCHEMBL9945342 0.77 CYP19A1 (1.00) CYP19A1CYP2C19
SCHEMBL9945331 0.72 CYP19A1 (0.58) CYP19A1NOTUM
SCHEMBL10360984 0.68 NOTUM (0.40) CYP19A1NOTUMCYP2C19CYP17A1
SCHEMBL10361477 0.68 GRIN2B (0.41) CYP19A1NOTUM
SCHEMBL9664748 0.67 CYP19A1 (0.72) CYP19A1
SCHEMBL10335793 0.67 CYP19A1 (0.50) CYP19A1NOTUM
SCHEMBL21777006 0.65 NOTUM (1.00) CYP19A1NOTUMKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP19A1 898/4885NOTUM 1126/4885PTGDR2 2833/4885

“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.