SCHEMBL942322

SCHEMBL942322

C1CNC2CCCC2NC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
EPAS1 Q99814 1/20 0.37
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL24966444 1.00 L3MBTL1 (0.38) L3MBTL1EPAS1MBTD1L3MBTL3NOS2
SCHEMBL30360171 0.93 EPAS1 (0.41) L3MBTL1EPAS1MBTD1L3MBTL3ALDH1A1
SCHEMBL21998829 0.93 EPAS1 (0.41) L3MBTL1EPAS1MBTD1L3MBTL3ALDH1A1
SCHEMBL14524889 0.90 EPAS1 (0.40) L3MBTL1EPAS1ALDH1A1PKM
SCHEMBL16878061 0.89
SCHEMBL16763803 0.89 L3MBTL1 (0.39) L3MBTL1MBTD1L3MBTL3NOS2NOS3
SCHEMBL9595528 0.89 L3MBTL1 (0.39) L3MBTL1MBTD1L3MBTL3NOS2NOS3
SCHEMBL19853436 0.89 L3MBTL1 (0.39) L3MBTL1MBTD1L3MBTL3NOS2NOS3
SCHEMBL3814583 0.89
SCHEMBL19211543 0.89 L3MBTL1 (0.39) L3MBTL1MBTD1L3MBTL3NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
WO-2015103583-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-09 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 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 (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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 L3MBTL1 2869/4885EPAS1 3304/4885MBTD1 2314/4885

“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.