SCHEMBL1035631

SCHEMBL1035631

COc1ccc(Cn2cc(CN(Cc3ccc(-c4ccc(N5CC(Cn6cc([Si](C)(C)C)nn6)OC5=O)cc4F)cc3)C(=O)OC(C)(C)C)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.46
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CALML3 P27482 1/20 0.38
MAOB P27338 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
SCHEMBL13180816 0.91 MAOA (0.55) MAOACYP3A4CYP2D6
SCHEMBL12956266 0.90 MAOA (0.43) MAOACALML3MAOB
SCHEMBL1031531 0.89 MAOA (0.46) MAOACALML3MAOB
SCHEMBL1031535 0.89 MAOA (0.46) MAOACALML3MAOB
SCHEMBL13180818 0.88 MAOA (0.40) MAOACYP3A4CALML3MAOB
SCHEMBL13180781 0.88 MAOA (0.40) MAOACYP3A4CALML3MAOB
SCHEMBL13180772 0.88 MAOA (0.52) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL4756417 0.85 MAOA (0.38) MAOACALML3MAOB
Hydrochloric Acid SCHEMBL3099234 0.83 MAOA (0.48) MAOACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1034178 0.83 MAOA (0.48) MAOACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 US disclosed
EP-1904489-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES Rib-X Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133397-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB-X PHARMACEUTICALS, INC. (US) 2006-12-14 WO 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 (3 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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 MAOA 1726/4885CYP3A4 14/4885CYP2D6 160/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI MAOA 1794/4885CYP3A4 22/4885CYP2D6 257/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 MAOA 1726/4885CYP3A4 14/4885CYP2D6 160/4885

“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.