SCHEMBL4257938

SCHEMBL4257938

COc1cccc(NC(=O)N(OC(=O)C(F)(F)F)C2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CNR1 P21554 1/20 0.35
KCNH2 Q12809 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
Trifluoroacetic Acid SCHEMBL4257937 0.82 NPC1 (0.52) MCHR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6459533 0.82 MCHR1 (0.44) MCHR1POLBMAPTSMN1; SMN2NPC1
SCHEMBL4262302 0.81 NPC1 (0.58) MCHR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4262298 0.81 NPC1 (0.58) MCHR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4263683 0.73 MCHR1 (0.73) MCHR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4263678 0.73 MCHR1 (0.73) MCHR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL4260898 0.71 MCHR1 (0.40) MCHR1CNR1KCNH2AURKB
SCHEMBL4269125 0.70 MCHR1 (0.57) MCHR1POLBSMN1; SMN2LMNAHTT
SCHEMBL4269131 0.70 MCHR1 (0.57) MCHR1POLBSMN1; SMN2LMNAHTT
SCHEMBL4262982 0.69 MCHR1 (0.47) MCHR1CNR1KCNH2AURKB

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 1 patent. 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 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 3/4885POLB 1164/4885MAPT 412/4885

“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.