SCHEMBL665345

SCHEMBL665345

COC(=O)CC(N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMO O15229 1/20 0.47
GRM8 O00222 4/20 0.46
GRM4 Q14833 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GRM6 O15303 3/20 0.46

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
SCHEMBL8297473 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL31163362 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL8242107 0.87 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL13331103 0.87 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL8242114 0.87 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL667426 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL3813140 0.86 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL3859569 0.83 KMO (0.55) MEN1KMT2AHTTL3MBTL1SMN1; SMN2
SCHEMBL666885 0.83 KMO (0.55) MEN1KMT2AHTTL3MBTL1SMN1; SMN2
SCHEMBL4833185 0.83 NPC1 (0.48) MEN1KMT2AALDH1A1LMNAMAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246888-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-03 US disclosed
US-20150246888-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-03 US disclosed
CN-102317269-B Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2015-06-17 CN disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
EP-1117652-B1 TAN-1057 DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-05-26 EP disclosed
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed
US-6576637-B1 Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, MERCK PATENT GMBH (DE) 2003-06-10 US disclosed
CN-1324348-A TAN-1057 derivatives BAYER AG (DE) 2001-11-28 CN disclosed
EP-1117652-A1 TAN-1057 DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000012484-A1 TAN-1057 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-09 WO disclosed
US-5378838-A FOR USE IN HUMANS MERCK & CO., INC. (US) 1995-01-03 US disclosed
WO-1994015924-A1 CHOLECYSTOKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-07-21 WO disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC MEN1 1111/4885KMT2A 99/4885ALDH1A1 1168/4885
US-20150246888-A1 ENOYL REDUCTASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY TECR, FAR1, ECI1 MEN1 4436/4885KMT2A 4160/4885ALDH1A1 1673/4885

“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.