SCHEMBL3787196

SCHEMBL3787196

CC(=O)Oc1cccc(N)c1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PTGS2 P35354 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
BLM P54132 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ACHE P22303 1/20 0.41
PREP P48147 2/20 0.39
CFD P00746 1/20 0.39
CELA1 Q9UNI1 1/20 0.39

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
SCHEMBL3789543 0.89 KDM4E (0.50) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL3790372 0.84 SMN1; SMN2 (0.43) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL3786673 0.81 MTOR (0.32) KDM4EALDH1A1HSD17B10TDP1PTGS1
SCHEMBL3794675 0.79 PTGS2 (0.46) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL3784822 0.79 BACE1 (0.45) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL3785707 0.78 ALDH1A1 (0.52) MAPK1KDM4EALDH1A1HSD17B10BLM
SCHEMBL4565094 0.77 ALDH1A1 (0.43) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL3188087 0.77 KDM4E (0.50) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL3790378 0.77 NCOA1 (0.49) MAPK1KDM4EALDH1A1PTGS2HPGD
SCHEMBL6688106 0.76 ALDH1A1 (0.42) MAPK1KDM4EALDH1A1PTGS2HPGD

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPK1 4726/4885KDM4E 2606/4885ALDH1A1 4339/4885

“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.