SCHEMBL3368331

SCHEMBL3368331

O=C1O[C@@H](Cn2ccnn2)CN1c1cc(F)c(I)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.66
MAOB P27338 1/20 0.66
CYP3A4 P08684 3/20 0.62
CYP2D6 P10635 1/20 0.62
KCNH2 Q12809 1/20 0.58
CYP2C9 P11712 1/20 0.51

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
SCHEMBL16789952 1.00 MAOA (0.66) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL21999224 0.90 MAOA (0.67) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL12956215 0.89 MAOA (0.66) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3195535 0.88 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL1033575 0.88 MAOA (0.71) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328493 0.85 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328501 0.85 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328495 0.85 CYP3A4 (0.79) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL4883519 0.85 MAOA (0.64) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL21999062 0.84 MAOA (0.72) MAOAMAOBCYP3A4CYP2D6KCNH2

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 19 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-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
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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 (6 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885CYP3A4 117/4885
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo IL17A, COASY, OXA1L MAOA 2435/4885MAOB 1387/4885CYP3A4 108/4885
US-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 MAOA 1726/4885MAOB 1344/4885CYP3A4 14/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885CYP3A4 117/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI MAOA 1794/4885MAOB 1380/4885CYP3A4 22/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 MAOA 1726/4885MAOB 1344/4885CYP3A4 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.