SCHEMBL6465575

SCHEMBL6465575

CCc1cccc(C)c1NC(=O)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
EPHX1 P07099 2/20 0.44
MCHR1 Q99705 5/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 4/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LCK P06239 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6465570 1.00 TP53 (0.45) TP53EPHX1MCHR1KDM4ELMNA
SCHEMBL6457991 0.95 EPHX1 (0.47) TP53EPHX1MCHR1KDM4ELMNA
SCHEMBL6457984 0.95 EPHX1 (0.47) TP53EPHX1MCHR1KDM4ELMNA
SCHEMBL6877850 0.93 EPHX1 (0.49) TP53EPHX1MCHR1KDM4ELMNA
SCHEMBL6877843 0.93 EPHX1 (0.49) TP53EPHX1MCHR1KDM4ELMNA
SCHEMBL6878770 0.90 ALDH1A1 (0.45) TP53MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6878768 0.90 ALDH1A1 (0.45) TP53MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6464423 0.90 MCHR1 (0.40) TP53MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6464416 0.90 MCHR1 (0.40) TP53MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6473886 0.89 EPHX1 (0.42) TP53EPHX1MCHR1KDM4ELMNA

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 TP53 4482/4885EPHX1 504/4885MCHR1 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.