SCHEMBL6458637

SCHEMBL6458637

COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.52
ADRA2A P08913 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
KLK7 P49862 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL6458632 1.00 MCHR1 (0.52) MCHR1ADRA2ASMN1; SMN2MAPTKLK7
SCHEMBL6874715 0.88 MCHR1 (0.53) MCHR1ADRA2AMAPTRAB9A
SCHEMBL6874706 0.88 MCHR1 (0.53) MCHR1ADRA2AMAPTRAB9A
SCHEMBL6877666 0.88 MCHR1 (0.53) MCHR1ADRA2ASMN1; SMN2MAPTMEN1
SCHEMBL6877671 0.88 MCHR1 (0.53) MCHR1ADRA2ASMN1; SMN2MAPTMEN1
SCHEMBL6458674 0.88 MCHR1 (0.48) MCHR1ADRA2ASMN1; SMN2MAPTKLK7
SCHEMBL6458684 0.88 MCHR1 (0.48) MCHR1ADRA2ASMN1; SMN2MAPTKLK7
SCHEMBL6880046 0.85 EPHX1 (0.49) MCHR1ADRA2ASMN1; SMN2MAPTMEN1
SCHEMBL6880053 0.85 EPHX1 (0.49) MCHR1ADRA2ASMN1; SMN2MAPTMEN1
SCHEMBL6458289 0.85 MCHR1 (0.59) MCHR1ADRA2AMAPTMEN1KMT2A

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 MCHR1 2/4885ADRA2A 117/4885SMN1; SMN2 1477/4885

“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.