SCHEMBL3787362

SCHEMBL3787362

Nc1cccc(CO)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
DPP4 P27487 1/20 0.41
APOBEC3G Q9HC16 1/20 0.38
PDK2 Q15119 1/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KEAP1 Q14145 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ABL2 P42684 1/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL3785710 0.86 CYP3A4 (0.37) PDCD1CD274ALDH1A1HSD17B10APOBEC3G
SCHEMBL6938421 0.85 CYP3A4 (0.43) PDCD1CD274ALDH1A1HSD17B10APOBEC3G
SCHEMBL3786378 0.83 ALDH1A1 (0.47) PDCD1CD274ALDH1A1CYP3A4TDP1
SCHEMBL3807089 0.82 DPP4 (0.52) ALDH1A1HSD17B10DPP4CYP3A4TDP1
SCHEMBL3789301 0.80 ALDH1A1 (0.46) PDCD1CD274ALDH1A1HSD17B10DPP4
SCHEMBL10711957 0.79 AKR1B1 (0.50) TSHRHPGDTDP1LMNAGAA
SCHEMBL7204765 0.79 PDCD1 (0.62) PDCD1CD274ALDH1A1HSD17B10DPP4
SCHEMBL1930918 0.78 PDCD1 (0.48) PDCD1CD274ALDH1A1HSD17B10DPP4
SCHEMBL5754263 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL28220947 0.78 PDCD1 (0.50) PDCD1CD274ALDH1A1HSD17B10DPP4

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 PDCD1 465/4885CD274 1253/4885ALDH1A1 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.