SCHEMBL1715464

SCHEMBL1715464

CCOC(=O)C(O)Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 8/20 0.46
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.42
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL12460028 0.91 L3MBTL1 (0.43) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL3948068 0.87 ALDH1A1 (0.54) L3MBTL1ALDH1A1TDP1RAB9ASMN1; SMN2
SCHEMBL27675955 0.80 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL5487638 0.80 CYP1A2 (0.46) L3MBTL1TDP1CYP1A2TSHR
SCHEMBL13150211 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL3718145 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL7524992 0.77 MAPK1 (0.47) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL3332335 0.76 ALDH1A1 (0.52) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL27583164 0.76 LMNA (0.42) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL8009396 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAATDP1RAB9A

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
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-03 US disclosed
US-7683076-B2 Tetrahydro-quinolinylurea derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-7683076-B2 Tetrahydro-quinolinylurea derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-7683076-B2 Tetrahydro-quinolinylurea derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives BAYER HEALTHCARE AG (DE) 2007-09-13 US disclosed
US-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives BAYER HEALTHCARE AG (DE) 2007-09-13 US disclosed
US-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives BAYER HEALTHCARE AG (DE) 2007-09-13 US disclosed
EP-1685112-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
WO-2005044802-A2 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VRL ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-05-19 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 (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-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, NQO2 L3MBTL1 2394/4885ALDH1A1 931/4885GAA 2347/4885
US-20100137361-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, HVCN1 L3MBTL1 2042/4885ALDH1A1 644/4885GAA 3048/4885

“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.