SCHEMBL3786241

SCHEMBL3786241

Nc1ccccc1-c1cccc(CO)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 3/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.38
PDK2 Q15119 1/20 0.37
DPP4 P27487 1/20 0.36
CYP3A4 P08684 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KEAP1 Q14145 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NFE2L2 Q16236 1/20 0.35
IDO1 P14902 2/20 0.35
ADORA2A P29274 3/20 0.35
HTR2B P41595 1/20 0.35
GPR68 Q15743 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
SCHEMBL3794284 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL3787583 0.82 PDCD1 (0.60) ALDH1A1HSD17B10PDCD1CD274APOBEC3G
SCHEMBL3793229 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10DPP4CYP3A4
SCHEMBL720119 0.81 CYP3A4 (0.43) ALDH1A1HSD17B10PDCD1CD274APOBEC3G
SCHEMBL3789301 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL10715050 0.78 AKR1B1 (0.48) ALDH1A1L3MBTL1HSD17B10HPGDTDP1
SCHEMBL15390567 0.78 APOBEC3G (0.44) ALDH1A1HSD17B10PDCD1CD274APOBEC3G
SCHEMBL11654081 0.78 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD
SCHEMBL3784518 0.76 PDCD1 (0.44) ALDH1A1HSD17B10PDCD1CD274APOBEC3G
SCHEMBL3386913 0.76 GABRA1 (0.50) ALDH1A1L3MBTL1HSD17B10CYP3A4HPGD

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 ALDH1A1 4339/4885L3MBTL1 3838/4885HSD17B10 1100/4885

“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.