SCHEMBL20501148

SCHEMBL20501148

O=C1c2cccc([N+](=O)[O-])c2CCC1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
RECQL P46063 2/20 0.43
MCL1 Q07820 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTPRC P08575 1/20 0.41
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL20500981 1.00 S100A4 (0.44) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL4656666 0.82 ACHE (0.44) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL22463101 0.76 ACHE (0.48) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL5761402 0.76 PARP10 (0.49) MAPTTDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL166701 0.75 MAPT (0.56) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL35211484 0.75 MAPT (0.56) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL22437227 0.74 DRD2 (0.45) MAPTDDB1CRBNPOLBMAPK1
SCHEMBL4573599 0.72 MAPT (0.53) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL768880 0.72 MAPT (0.53) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL2246307 0.72 ACHE (0.58) S100A4MAPTKMT2ARECQLMCL1

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-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth NORTH CAROLINA STATE UNIVERSITY (US) 2023-02-21 US disclosed
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-06 US disclosed
WO-2018169752-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NORTH CAROLINA STATE UNIVERSITY (US) 2018-09-20 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 (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-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth DDC, IL4I1, ING2 S100A4 3294/4885MAPT 3880/4885KMT2A 821/4885
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH DDC, IL4I1, ING2 S100A4 3294/4885MAPT 3880/4885KMT2A 821/4885

“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.