SCHEMBL9945331

SCHEMBL9945331

COc1ccc(C(c2ccc(C)cc2)n2ccnn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.58
ACHE P22303 1/20 0.46
ALDH1A1 P00352 2/20 0.41
NOTUM Q6P988 1/20 0.40
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL16057361 0.74 CYP19A1 (0.47) CYP19A1ALDH1A1NOTUM
SCHEMBL9965135 0.73 CYP19A1 (0.70) CYP19A1ALDH1A1NOTUMMAPT
SCHEMBL9945330 0.72 CYP19A1 (1.00) CYP19A1NOTUM
SCHEMBL9945323 0.72 CYP19A1 (0.68) CYP19A1NOTUM
SCHEMBL5865736 0.71 CYP19A1 (1.00) CYP19A1ALDH1A1MAPT
SCHEMBL11965157 0.69 ACHE (0.65) CYP19A1ACHEALDH1A1RELAMAPT
SCHEMBL9136047 0.69 CYP19A1 (0.42) CYP19A1ACHEALDH1A1NOTUMMAPT
SCHEMBL9895460 0.69 CYP2C9 (0.50) NOTUMMAPT
SCHEMBL6347435 0.68 ACHE (0.71) CYP19A1ACHEALDH1A1RELAMAPT
SCHEMBL16865571 0.68 ACHE (0.71) CYP19A1ACHEALDH1A1RELAMAPT

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 4 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
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 898/4885ACHE 101/4885ALDH1A1 289/4885

“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.