SCHEMBL5448248

SCHEMBL5448248

CC(=O)N1CCc2cc([N+](=O)[O-])cc(I)c2CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
BAZ2B Q9UIF8 1/20 0.43
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
RAB9A P51151 3/20 0.38
NOTUM Q6P988 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 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
SCHEMBL14788111 0.91 BAZ2B (0.47) KMT2ALMNAMEN1HTTL3MBTL1
SCHEMBL17462541 0.85 L3MBTL1 (0.46) KMT2ALMNAMEN1L3MBTL1ALDH1A1
SCHEMBL5442760 0.84 LMNA (0.47) KMT2ALMNAMEN1HTTL3MBTL1
SCHEMBL17462528 0.84 L3MBTL1 (0.45) KMT2ALMNAMEN1L3MBTL1ALDH1A1
SCHEMBL5780558 0.83 ESR1 (0.43) KMT2ALMNAMEN1HTTL3MBTL1
SCHEMBL25307344 0.78 ESR2 (0.52) KMT2ALMNAMEN1HTTL3MBTL1
SCHEMBL31034811 0.78 ESR2 (0.52) KMT2ALMNAMEN1HTTL3MBTL1
SCHEMBL29310346 0.78 ESR2 (0.52) KMT2ALMNAMEN1HTTL3MBTL1
SCHEMBL2310023 0.77 ALDH1A1 (0.55) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL29310313 0.76 LMNA (0.45) KMT2ALMNAMEN1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353090-B2 Heterocyclic carboxylic acids as activators of soluble guanylate cyclase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-31 US disclosed
US-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
EP-1487801-B1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO¬D|AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2006-04-19 EP disclosed
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
US-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders GLAXO GROUP LIMITED (GB) 2005-04-28 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 (4 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-20160024059-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ADCY9, ADCY7, GUCY1B1 KMT2A 3415/4885LMNA 1564/4885MEN1 1764/4885
US-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders HTR6, HTR7, HTR2A KMT2A 1786/4885LMNA 3284/4885MEN1 2488/4885
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 KMT2A 3323/4885LMNA 4341/4885MEN1 1718/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 KMT2A 2679/4885LMNA 2723/4885MEN1 1460/4885

“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.