SCHEMBL834358

SCHEMBL834358

CC(=O)[N]c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2C P18825 1/20 0.46
MAOA P21397 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
CCR2 P41597 1/20 0.46
DHODH Q02127 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL343533 0.82 NR4A1 (0.50) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL79801 0.80 SIGMAR1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL4172132 0.79 SIGMAR1 (0.43) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL283065 0.79 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL7445149 0.78 SIGMAR1 (0.42) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL7089296 0.77 CYP1A2 (0.50) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL7089301 0.77 CYP1A2 (0.50) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL7443122 0.77 DHODH (0.43) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL7443116 0.77 DHODH (0.43) ALDH1A1HPGDCYP1A2CYP3A4TDP1
SCHEMBL7449481 0.76 DHODH (0.45) ALDH1A1HPGDCYP1A2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
US-8497397-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-30 US disclosed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP disclosed
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-8143446-B2 Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO COMPANY , LIMITED (JP) 2009-05-07 US disclosed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP disclosed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 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 (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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 ALDH1A1 298/4885HPGD 985/4885CYP1A2 1134/4885
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 ALDH1A1 3130/4885HPGD 406/4885CYP1A2 1229/4885
US-20090118199-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ACR, NAT1, C1S ALDH1A1 75/4885HPGD 570/4885CYP1A2 40/4885
US-20120220593-A1 Substituted Acrylamide Derivative and Pharmaceutical Composition Comprising the Same ACR, NAT1, C1S ALDH1A1 75/4885HPGD 570/4885CYP1A2 40/4885

“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.