SCHEMBL1036735

SCHEMBL1036735

O=C(NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1)C(F)F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
MAOA P21397 9/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1035788 0.94 CALML3 (0.48) CALML3MAOACYP3A4CYP2C19
SCHEMBL1036587 0.92 MAOA (0.39) CALML3MAOA
SCHEMBL12956467 0.91 MAOA (0.49) CALML3MAOACYP3A4CYP2C19
Radezolid SCHEMBL1035776 0.91 MAOA (0.56) CALML3MAOACYP3A4CYP2C19
Radezolid SCHEMBL30061945 0.91 MAOA (0.56) CALML3MAOACYP3A4CYP2C19
Radezolid SCHEMBL3165892 0.91 MAOA (0.56) CALML3MAOACYP3A4CYP2C19
Radezolid SCHEMBL15633880 0.90 MAOA (0.55) CALML3MAOACYP3A4CYP2C19
Radezolid SCHEMBL2723587 0.90 MAOA (0.55) CALML3MAOACYP3A4CYP2C19
SCHEMBL13150338 0.89 CALML3 (0.49) CALML3MAOACYP3A4CYP2C19
SCHEMBL12181349 0.89 CALML3 (0.51) CALML3MAOACYP3A4CYP2C19

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 13 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-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-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-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-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
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
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 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 (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 CALML3 4426/4885MAOA 1726/4885CYP3A4 14/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI CALML3 4339/4885MAOA 1794/4885CYP3A4 22/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 CALML3 4426/4885MAOA 1726/4885CYP3A4 14/4885

“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.