SCHEMBL6458474

SCHEMBL6458474

CN(C)c1cc(NC2CCC(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
HPGD P15428 2/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
ADRA2A P08913 1/20 0.41
MCHR1 Q99705 1/20 0.41
TP53 P04637 1/20 0.41
APEX1 P27695 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
SCHEMBL6458481 1.00 BCHE (0.46) BCHEACHEHPGDMAPTKMT2A
SCHEMBL6458468 1.00 BCHE (0.46) BCHEACHEHPGDMAPTKMT2A
SCHEMBL6459666 0.92 ALDH1A1 (0.51) HPGDMAPTKMT2AMEN1ALDH1A1
SCHEMBL6459676 0.92 ALDH1A1 (0.51) HPGDMAPTKMT2AMEN1ALDH1A1
SCHEMBL6459678 0.92 ALDH1A1 (0.51) HPGDMAPTKMT2AMEN1ALDH1A1
SCHEMBL6875525 0.91 MCHR1 (0.43) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6875529 0.91 MCHR1 (0.43) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6875516 0.91 MCHR1 (0.43) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6460042 0.90 MCHR1 (0.47) BCHEACHEHPGDMAPTKMT2A
SCHEMBL6460039 0.90 MCHR1 (0.47) BCHEACHEHPGDMAPTKMT2A

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

“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.