SCHEMBL4914701

SCHEMBL4914701

COc1cc(OC)nc(CNC(=O)c2cnccc2C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.54
MAPT P10636 2/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.41
KLKB1 P03952 1/20 0.40
EPHX2 P34913 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
ADRB2 P07550 1/20 0.39
S1PR1 P21453 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SORT1 Q99523 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4916131 0.94 MAPT (0.51) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL28761616 0.85 DGAT2 (0.55) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL4919571 0.85 ALDH1A1 (0.51) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL4914769 0.79 ALDH1A1 (0.55) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL3752774 0.76 ALDH1A1 (0.56) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL18713290 0.75 ALDH1A1 (0.53) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL4916272 0.75 ALDH1A1 (0.56) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL4917603 0.75 ALDH1A1 (0.48) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL18715596 0.75 SMN1; SMN2 (0.55) DGAT2MAPTPOLBALDH1A1NPC1
SCHEMBL8373058 0.75 ALDH1A1 (0.50) DGAT2MAPTPOLBALDH1A1NPC1

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
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX DGAT2 869/4885MAPT 1236/4885POLB 3655/4885

“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.