SCHEMBL6455638

SCHEMBL6455638

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)C=Cc3cccc([N+](=O)[O-])c3)CC2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HPGD P15428 3/20 0.53
MCHR1 Q99705 2/20 0.45
ADRA2A P08913 1/20 0.45
KLF5 Q13887 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6455633 1.00 ALDH1A1 (0.53) ALDH1A1HPGDMCHR1ADRA2AKLF5
SCHEMBL6455627 1.00 ALDH1A1 (0.53) ALDH1A1HPGDMCHR1ADRA2AKLF5
SCHEMBL6465511 0.91 HPGD (0.51) ALDH1A1HPGDMCHR1ADRA2AMAPT
SCHEMBL6465515 0.91 HPGD (0.51) ALDH1A1HPGDMCHR1ADRA2AMAPT
SCHEMBL6465514 0.91 HPGD (0.51) ALDH1A1HPGDMCHR1ADRA2AMAPT
SCHEMBL6868797 0.87 MCHR1 (0.42) ALDH1A1MCHR1ADRA2ASMN1; SMN2LMNA
SCHEMBL6868800 0.87 MCHR1 (0.42) ALDH1A1MCHR1ADRA2ASMN1; SMN2LMNA
SCHEMBL6868791 0.87 MCHR1 (0.42) ALDH1A1MCHR1ADRA2ASMN1; SMN2LMNA
SCHEMBL13793276 0.86 MCHR1 (0.63) ALDH1A1HPGDMCHR1ADRA2AKLF5
SCHEMBL6873893 0.85 MCHR1 (0.57) ALDH1A1MCHR1ADRA2ALMNAKMT2A

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 5 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
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 ALDH1A1 2036/4885HPGD 2310/4885MCHR1 2/4885

“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.