SCHEMBL4258486

SCHEMBL4258486

CCc1cccc(CC)c1NC(=S)N[C@H]1CC[C@@H](Nc2cc(N(C)C)nc(C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.40
ALDH1A1 P00352 3/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ADRA2A P08913 2/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
ADRA1A P35348 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4258493 1.00 MCHR1 (0.40) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL4263758 0.83 CRHR1 (0.41) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL4263765 0.83 CRHR1 (0.41) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL4266446 0.81 ALOX12 (0.39) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL4256747 0.81 SMN1; SMN2 (0.36) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL4256741 0.81 SMN1; SMN2 (0.36) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL4266450 0.81 ALOX12 (0.39) MCHR1ALDH1A1CACNA1BAPBA1KMT2A
SCHEMBL6463465 0.80 MCHR1 (0.44) MCHR1HTTKDM4EADRA2AHRH1
SCHEMBL6463450 0.80 MCHR1 (0.44) MCHR1HTTKDM4EADRA2AHRH1
SCHEMBL6874211 0.79 MCHR1 (0.41) MCHR1ALDH1A1CACNA1BAPBA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MCHR1 3/4885ALDH1A1 765/4885CACNA1B 2456/4885

“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.