SCHEMBL6463074

SCHEMBL6463074

COc1ccc(NC(=S)NC2CCC(Nc3nccc(N(C)C)n3)CC2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX12 P18054 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MCHR1 Q99705 1/20 0.44
GAA P10253 2/20 0.44
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL6463067 1.00 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL6875924 0.92 MCHR1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6875932 0.92 MCHR1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6867007 0.89 MAPT (0.52) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL6867012 0.89 MAPT (0.52) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL6878392 0.89 LMNA (0.56) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6878402 0.89 LMNA (0.56) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6460836 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL6868252 0.86 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL6460841 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA

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 ALDH1A1 2036/4885HPGD 2310/4885SMN1; 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.