SCHEMBL1581044

SCHEMBL1581044

N=C(COc1ccccc1)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GAA P10253 1/20 0.43
KCNA3 P22001 1/20 0.43
MAOB P27338 3/20 0.42
AOC2 O75106 2/20 0.42
MAOA P21397 2/20 0.42
AOC3 Q16853 2/20 0.42
MAPT P10636 1/20 0.42
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42

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
Hydrochloric Acid SCHEMBL836697 0.98 ALOX15 (0.50) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL8046154 0.86 L3MBTL1 (0.49) KMT2AHPGD
SCHEMBL481181 0.80 MAPT (0.46) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL19850465 0.76 MAOB (0.49) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL216783 0.75 KMT2A (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL11305220 0.74 ALOX15 (0.47) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL1221676 0.74 WDR5 (0.64) ALOX15KMT2AMEN1ALDH1A1RECQL
SCHEMBL1118101 0.73 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1RECQLGAA
Hydrochloric Acid SCHEMBL3764249 0.72 WDR5 (0.62) ALOX15KMT2AMEN1ALDH1A1RECQL
SCHEMBL194404 0.72 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023057548-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-13 WO disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 WO disclosed
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP disclosed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 US disclosed
EP-1742947-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-17 EP disclosed
WO-2005108398-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-17 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 ALOX15 2229/4885KMT2A 3145/4885MEN1 4257/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ALOX15 2229/4885KMT2A 3145/4885MEN1 4257/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 ALOX15 731/4885KMT2A 2858/4885MEN1 2121/4885
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof PNPO, CYP2D6, DPYD ALOX15 893/4885KMT2A 3979/4885MEN1 1188/4885

“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.