SCHEMBL6462906

SCHEMBL6462906

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccc(Br)cc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADRA2A P08913 4/20 0.40
MCHR1 Q99705 4/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.39
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 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
SCHEMBL6458369 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6873429 0.91 NPC1 (0.53) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6873435 0.91 NPC1 (0.53) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6458264 0.91 MCHR1 (0.41) ALDH1A1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL6462306 0.91 MCHR1 (0.41) ALDH1A1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL6463052 0.90 HTT (0.58) SMN1; SMN2KMT2AMAPK1HTTADRA2A
SCHEMBL6878772 0.90 MCHR1 (0.40) ALDH1A1SMN1; SMN2NPC1ADRA2AMCHR1
SCHEMBL6459674 0.90 HTT (0.58) SMN1; SMN2KMT2AMAPK1HTTADRA2A
SCHEMBL6878777 0.90 MCHR1 (0.40) ALDH1A1SMN1; SMN2NPC1ADRA2AMCHR1
SCHEMBL6872424 0.89 MCHR1 (0.41) SMN1; SMN2NPC1ADRA2AMCHR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2036/4885SMN1; SMN2 1477/4885MEN1 734/4885

“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.