SCHEMBL6458264

SCHEMBL6458264

Cc1cc(Br)ccc1NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.41
ADRA2A P08913 7/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH1 P35367 4/20 0.37
HTR2B P41595 4/20 0.37
ADRA1A P35348 2/20 0.37

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
SCHEMBL6462306 1.00 MCHR1 (0.41) MCHR1ADRA2AHPGDHTTALDH1A1
SCHEMBL6462906 0.91 ALDH1A1 (0.45) MCHR1ADRA2AHTTALDH1A1NPSR1
SCHEMBL6878777 0.91 MCHR1 (0.40) MCHR1ADRA2AHPGDALDH1A1TP53
SCHEMBL6878772 0.91 MCHR1 (0.40) MCHR1ADRA2AHPGDALDH1A1TP53
SCHEMBL6458369 0.91 ALDH1A1 (0.45) MCHR1ADRA2AHTTALDH1A1NPSR1
SCHEMBL6872420 0.91 MCHR1 (0.41) MCHR1ADRA2ASMN1; SMN2HRH1HTR2B
SCHEMBL6872424 0.91 MCHR1 (0.41) MCHR1ADRA2ASMN1; SMN2HRH1HTR2B
SCHEMBL6455345 0.91 MCHR1 (0.42) MCHR1ADRA2AHTTMAPTSMN1; SMN2
SCHEMBL6455343 0.91 MCHR1 (0.42) MCHR1ADRA2AHTTMAPTSMN1; SMN2
SCHEMBL6464517 0.89 MCHR1 (0.45) MCHR1ADRA2AHPGDHTTALDH1A1

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
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
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 117/4885HPGD 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.