SCHEMBL6463741

SCHEMBL6463741

Cc1ccc(C(=O)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.54
MCHR1 Q99705 11/20 0.54
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
NPY5R Q15761 1/20 0.49
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPT P10636 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL6463734 1.00 ADRA2A (0.54) ADRA2AMCHR1LMNAALDH1A1PKM
SCHEMBL6458449 0.93 ADRA2A (0.54) ADRA2AMCHR1LMNAALDH1A1SMN1; SMN2
SCHEMBL6458462 0.93 ADRA2A (0.54) ADRA2AMCHR1LMNAALDH1A1SMN1; SMN2
SCHEMBL6463227 0.91 ADRA2A (0.56) ADRA2AMCHR1LMNAALDH1A1PKM
SCHEMBL6463231 0.91 ADRA2A (0.56) ADRA2AMCHR1LMNAALDH1A1PKM
SCHEMBL6458291 0.89 ALDH1A1 (0.53) ADRA2AMCHR1LMNAALDH1A1PKM
SCHEMBL6458298 0.89 ALDH1A1 (0.53) ADRA2AMCHR1LMNAALDH1A1PKM
SCHEMBL6464750 0.88 MCHR1 (0.53) ADRA2AMCHR1LMNASMN1; SMN2HTR1A
SCHEMBL6464746 0.88 MCHR1 (0.53) ADRA2AMCHR1LMNASMN1; SMN2HTR1A
SCHEMBL6458289 0.88 MCHR1 (0.59) ADRA2AMCHR1ALDH1A1HTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ADRA2A 117/4885MCHR1 2/4885LMNA 3391/4885

“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.