SCHEMBL5445121

SCHEMBL5445121

CN1CCc2cc([N+](=O)[O-])cc(Br)c2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIRT6 Q8N6T7 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
CYP19A1 P11511 1/20 0.37
LMNA P02545 2/20 0.37
ESPL1 Q14674 1/20 0.37
HIF1A Q16665 1/20 0.37
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
MEN1 O00255 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
SCHEMBL20214597 0.91 L3MBTL1 (0.44) L3MBTL1HTR2AHTR2CHTR2BSIRT6
SCHEMBL27044021 0.83 ALDH1A1 (0.47) L3MBTL1POLBALDH1A1CYP3A4CYP19A1
SCHEMBL30710100 0.83 ALDH1A1 (0.47) L3MBTL1POLBALDH1A1CYP3A4CYP19A1
SCHEMBL5442760 0.81 LMNA (0.47) L3MBTL1HTR2AHTR2CHTR2BSIRT6
SCHEMBL5441574 0.81 HTR2A (0.52) L3MBTL1HTR2AHTR2CHTR2BSIRT6
SCHEMBL26694532 0.80 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP19A1LMNAESPL1
SCHEMBL5782401 0.78 ESR1 (0.40) L3MBTL1NPC1POLBRAB9AALDH1A1
SCHEMBL29310334 0.77 L3MBTL1 (0.49) L3MBTL1HTR2AHTR2CHTR2BSIRT6
SCHEMBL29310313 0.76 LMNA (0.45) L3MBTL1HTR2AHTR2CHTR2BSIRT6
SCHEMBL29310311 0.76 HTR2A (0.47) L3MBTL1HTR2AHTR2CHTR2BSIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
EP-1503989-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-09 EP disclosed
EP-1474399-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2003095428-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-11-20 WO disclosed
WO-2003068752-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 L3MBTL1 1163/4885HTR2A 84/4885HTR2C 30/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 L3MBTL1 659/4885HTR2A 95/4885HTR2C 18/4885

“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.