SCHEMBL1041003

SCHEMBL1041003

CCNCc1cccc(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A4 P14672 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
PKM P14618 1/20 0.60
ALOX15 P16050 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
LMNA P02545 2/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
ENPP2 Q13822 1/20 0.50
HIF1A Q16665 1/20 0.50
OPRK1 P41145 1/20 0.50
GALR3 O60755 1/20 0.50
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL9416529 0.87 SLC2A4 (0.75) SLC2A4CYP1A2CYP3A4PKMALOX15
SCHEMBL5909429 0.85 PARP1 (0.47) SLC2A4CYP1A2PKMLMNAKMT2A
SCHEMBL8584527 0.85 SLC2A4 (0.57) SLC2A4CYP1A2CYP3A4PKMALOX15
SCHEMBL6254596 0.83 SLC2A4 (0.65) SLC2A4CYP1A2CYP3A4PKMALOX15
SCHEMBL17285992 0.82 CYP1A2 (0.58) SLC2A4CYP1A2CYP3A4PKMALOX15
SCHEMBL14430763 0.81 DRD2 (0.53) LMNAKDM4EHIF1AOPRK1GALR3
SCHEMBL9416667 0.80 SLC2A4 (0.71) SLC2A4CYP1A2CYP3A4PKMALOX15
SCHEMBL15317766 0.79 SLC2A4 (0.56) SLC2A4CYP1A2CYP3A4PKMALOX15
SCHEMBL12956919 0.79 PARP1 (0.43) CYP1A2PKMLMNAKDM4EMAPT
SCHEMBL1488015 0.79 CYP3A4 (0.64) SLC2A4CYP1A2CYP3A4PKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
EP-0645369-B1 Intermediates for a process for producing enyne derivatives BANYU PHARMA CO LTD (JP) 1998-12-23 EP disclosed
EP-0421302-B1 Process for producing enyne derivatives BANYU PHARMA CO LTD (JP) 1996-06-26 EP disclosed
US-5440049-A Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436354-A Intermediates for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0645369-A2 Process for producing enyne Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed
US-5359091-A Intermediates for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
US-5296612-A Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
US-5231183-A Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-27 US disclosed
EP-0421302-A2 Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-04-10 EP disclosed
CN-1037141-A The alkylamine derivative that replaces BANYU PHARMA CO LTD (JP) 1989-11-15 CN 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 (1 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-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP SLC2A4 4712/4885CYP1A2 4509/4885CYP3A4 4587/4885

“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.