SCHEMBL1034817

SCHEMBL1034817

COc1ccc(Cn2nncc2CN(Cc2ccc(-c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.45
CALML3 P27482 4/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
SDHA P31040 1/20 0.43

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
SCHEMBL1034815 1.00 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17749417 0.93 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13151282 0.88 MAOA (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13151389 0.88 MAOA (0.48) MAOA
SCHEMBL1031535 0.87 MAOA (0.46) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1031531 0.87 MAOA (0.46) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4743527 0.87 MAOA (0.36) MAOACALML3MAOB
SCHEMBL12956491 0.87 MAOA (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1033799 0.86 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1033803 0.86 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442526-B1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP (US) 2023-01-04 EP disclosed
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 US disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 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
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

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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 MAOA 1726/4885CALML3 4426/4885MAOB 1344/4885
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CUTA, CYP19A1, KAT2A MAOA 379/4885CALML3 2223/4885MAOB 219/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 MAOA 1569/4885CALML3 4401/4885MAOB 1093/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 MAOA 1569/4885CALML3 4401/4885MAOB 1093/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI MAOA 1794/4885CALML3 4339/4885MAOB 1380/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 MAOA 1726/4885CALML3 4426/4885MAOB 1344/4885

“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.