SCHEMBL6465515

SCHEMBL6465515

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)CC2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
ALDH1A1 P00352 4/20 0.41
APEX1 P27695 1/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 6/20 0.39
HTT P42858 3/20 0.39
MCHR1 Q99705 3/20 0.39
ADRA2A P08913 2/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6465511 1.00 HPGD (0.51) HPGDBCHEACHEALDH1A1APEX1
SCHEMBL6465514 1.00 HPGD (0.51) HPGDBCHEACHEALDH1A1APEX1
SCHEMBL6455638 0.91 ALDH1A1 (0.53) HPGDBCHEACHEALDH1A1LMNA
SCHEMBL6455633 0.91 ALDH1A1 (0.53) HPGDBCHEACHEALDH1A1LMNA
SCHEMBL6455627 0.91 ALDH1A1 (0.53) HPGDBCHEACHEALDH1A1LMNA
SCHEMBL6878340 0.89 BCHE (0.46) HPGDBCHEACHEALDH1A1APEX1
SCHEMBL6878343 0.89 BCHE (0.46) HPGDBCHEACHEALDH1A1APEX1
SCHEMBL6878346 0.89 BCHE (0.46) HPGDBCHEACHEALDH1A1APEX1
SCHEMBL6878348 0.89 BCHE (0.46) HPGDBCHEACHEALDH1A1APEX1
SCHEMBL6868791 0.88 MCHR1 (0.42) BCHEACHEALDH1A1LMNAMCHR1

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 HPGD 2310/4885BCHE 119/4885ACHE 197/4885

“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.