SCHEMBL17485853

SCHEMBL17485853

NCc1cn(-c2ccc(-n3cnc(NC(N)=O)nc3=O)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.52
MAOB P27338 2/20 0.52
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
NOTUM Q6P988 6/20 0.46
SYK P43405 1/20 0.42
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA2D1 P54289 1/20 0.37
MIF P14174 3/20 0.37
DDX3X O00571 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14562 0.83 MAOA (0.51) MAOAMAOBCA12CA1CA2
SCHEMBL14850156 0.70 MIF (0.41) MAOAMAOBCA12CA1CA2
SCHEMBL14850162 0.68 MAOA (0.33) MAOAMAOBMAPTMIF
SCHEMBL23296125 0.67 CA1 (0.57) MAOAMAOBCA12CA1CA2
SCHEMBL17076798 0.67 NOTUM (0.71) MAOAMAOBCA12CA1CA2
SCHEMBL19718351 0.66 MIF (0.39) MAOAMAOBCA12CA1CA2
SCHEMBL27051679 0.66 NOTUM (0.70) MAOAMAOBCA12CA1CA2
SCHEMBL16401577 0.65 NOTUM (1.00) MAOAMAOBCA12CA1CA2
SCHEMBL10541705 0.64 ESR2 (0.43)
SCHEMBL28262648 0.64 DDX3X (0.73) MAPTCYP1A2POLBCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MAOA 693/4885MAOB 864/4885CA12 3937/4885

“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.