SCHEMBL3784586

SCHEMBL3784586

Nc1ccccc1-c1cc(CO)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 1/20 0.45
CHEK1 O14757 1/20 0.40
PDK2 Q15119 1/20 0.40
TSHR P16473 1/20 0.39
ENPP2 Q13822 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
TTR P02766 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36

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
SCHEMBL3792925 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10CHEK1PDK2
SCHEMBL30639035 0.85 ALDH1A1 (0.53) ALDH1A1L3MBTL1HSD17B10CHEK1PDK2
SCHEMBL3783088 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTTRBACE1
SCHEMBL3785443 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10ENPP2IDO1
SCHEMBL30279574 0.81 HTR7 (0.51) ALDH1A1L3MBTL1TTRMEN1POLB
SCHEMBL393770 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10PDK2TSHR
SCHEMBL10714003 0.78 AKR1B1 (0.48) ALDH1A1L3MBTL1HSD17B10TSHRKDM4E
SCHEMBL30279504 0.78 PTGER1 (0.46) HSD17B10TSHRTTRMAPTRAB9A
SCHEMBL3726097 0.77 ALDH1A1 (0.57) ALDH1A1L3MBTL1HSD17B10TSHRENPP2
SCHEMBL18604609 0.77 TP53 (0.44) ALDH1A1L3MBTL1HSD17B10TTRKDM4E

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.