SCHEMBL6459146

SCHEMBL6459146

Cc1cc(Br)cc(C)c1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MCHR1 Q99705 8/20 0.42
ADRA2A P08913 7/20 0.41
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL6459161 1.00 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6458384 0.93 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6458375 0.93 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6456729 0.92 MCHR1 (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6456707 0.92 MCHR1 (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6872718 0.92 ALOX12 (0.49) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6872723 0.92 ALOX12 (0.49) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6460801 0.89 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6458568 0.89 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A
SCHEMBL6459826 0.89 EPHX1 (0.46) SMN1; SMN2KDM4ELMNAMCHR1ADRA2A

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 SMN1; SMN2 1477/4885KDM4E 1190/4885LMNA 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.