SCHEMBL18632997

SCHEMBL18632997

NCc1cn(CC(N)=O)nn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.44
▸ MAOB P27338 2/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.43
▸ NOTUM Q6P988 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ITGAV P06756 4/20 0.38
▸ ITGB5 P18084 4/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ GUSB P08236 1/20 0.35

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
SCHEMBL21063617 0.85 MAOA (0.47) MAOAMAOBNOTUMALDH1A1POLB
SCHEMBL15257805 0.84 MAOA (0.43) MAOAMAOBNOTUMALDH1A1POLB
SCHEMBL8211039 0.82 ALDH1A1 (0.48) SMYD3ALDH1A1POLBKMT2AITGAV
SCHEMBL21232781 0.80 ITGAV (0.40) MAOAMAOBNOTUMALDH1A1POLB
SCHEMBL15121329 0.77 SRC (0.47) MAOAMAOBALDH1A1
SCHEMBL25014093 0.76 ALDH1A1 (0.42) MAOAMAOBALDH1A1KMT2ACA12
SCHEMBL26066647 0.76 FOLH1 (0.42) MAOAMAOBALDH1A1POLBKMT2A
SCHEMBL12984349 0.76 SMYD3 (0.44) SMYD3ALDH1A1OPRM1OPRL1
SCHEMBL26066648 0.75 FOLH1 (0.41) MAOAMAOBALDH1A1POLBKMT2A
SCHEMBL24346258 0.74 SMYD3 (0.43) SMYD3ALDH1A1OPRM1OPRL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399996-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-09-03 — — US disclosed
US-20170073360-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 — — 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 (2 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-10399996-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MAOA 206/4885MAOB 228/4885SMYD3 926/4885
US-20170073360-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MAOA 206/4885MAOB 228/4885SMYD3 926/4885

“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.

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