SCHEMBL6458684

SCHEMBL6458684

COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.48
ADRA2A P08913 4/20 0.48
KLK7 P49862 1/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
AURKA O14965 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6458674 1.00 MCHR1 (0.48) MCHR1ADRA2AKLK7MAPTSMN1; SMN2
SCHEMBL6458632 0.88 MCHR1 (0.52) MCHR1ADRA2AKLK7MAPTSMN1; SMN2
SCHEMBL6458637 0.88 MCHR1 (0.52) MCHR1ADRA2AKLK7MAPTSMN1; SMN2
SCHEMBL13793822 0.87 MCHR1 (0.66) MCHR1ADRA2AKLK7MAPT
SCHEMBL6874706 0.84 MCHR1 (0.53) MCHR1ADRA2AMAPTRAB9A
SCHEMBL6874715 0.84 MCHR1 (0.53) MCHR1ADRA2AMAPTRAB9A
SCHEMBL6455698 0.83 MCHR1 (0.49) MCHR1ADRA2AKLK7MAPTSMN1; SMN2
SCHEMBL6455699 0.83 MCHR1 (0.49) MCHR1ADRA2AKLK7MAPTSMN1; SMN2
SCHEMBL4929712 0.83 CNR1 (0.41) MCHR1ADRA2AKLK7MAPTALDH1A1
SCHEMBL4929715 0.83 CNR1 (0.41) MCHR1ADRA2AKLK7MAPTALDH1A1

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
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
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 117/4885KLK7 4495/4885

“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.