SCHEMBL6464879

SCHEMBL6464879

COc1cc(NC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(OC)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL6461257 1.00 ALDH1A1 (0.60) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6457825 0.96 ALDH1A1 (0.54) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6457822 0.96 ALDH1A1 (0.54) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6876902 0.90 TDP1 (0.59) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6876908 0.90 TDP1 (0.59) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6878924 0.87 L3MBTL1 (0.46) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6457916 0.87 L3MBTL1 (0.46) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6878919 0.87 L3MBTL1 (0.46) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6457924 0.87 L3MBTL1 (0.46) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL6875825 0.86 MCHR1 (0.41) ALDH1A1HTTLMNATDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2036/4885HTT 500/4885LMNA 3391/4885

“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.