SCHEMBL9904075

SCHEMBL9904075

CC(C)C(c1ccc2c(Cl)c(Cl)ccc2n1)n1ccnn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
NOTUM Q6P988 1/20 0.35
CYP2C19 P33261 1/20 0.31
MPO P05164 1/20 0.30

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
SCHEMBL9904023 0.83 CYP19A1 (0.33) CYP19A1CYP2C19
SCHEMBL9903957 0.82 CYP19A1 (0.32) CYP19A1
SCHEMBL9903938 0.80 AAK1 (0.36) CYP19A1CYP2C19
SCHEMBL9894682 0.80 CYP19A1 (0.42) CYP19A1NOTUMCYP2C19
SCHEMBL9965128 0.74 KDM4E (0.42) CYP19A1
SCHEMBL9894758 0.72 CYP19A1 (0.36) CYP19A1CYP2C19
SCHEMBL9895726 0.72 NCF1 (0.46) NOTUMCYP2C19
SCHEMBL9895907 0.72
SCHEMBL9894903 0.71 CYP19A1 (0.45) CYP19A1
SCHEMBL9896964 0.71 AAK1 (0.44) CYP19A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651905-B1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS INC (US) 2017-07-19 EP claimed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US claimed
EP-2651905-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-10-23 EP claimed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO claimed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US claimed
EP-2651905-B1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
EP-2651905-B1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
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-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
EP-2651905-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO 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
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 1126/4885CYP2C19 691/4885

“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.