SCHEMBL3780916

SCHEMBL3780916

CNc1cccc(-c2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EGFR P00533 1/20 0.43
PABPC1 P11940 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDK2 Q15119 1/20 0.39
TDO2 P48775 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 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
SCHEMBL3789487 0.86 TDP1 (0.38) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL3788065 0.83 MAP4K4 (0.47) MAPTTDP1L3MBTL1SMN1; SMN2EGFR
SCHEMBL29413720 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL1039296 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL3780773 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL23496291 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL1822460 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL6077764 0.78 MAPT (0.44) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL19018371 0.78 CD274 (0.50) ALDH1A1HSD17B10MAPTTDP1L3MBTL1
SCHEMBL23966238 0.78 MAPT (0.48) ALDH1A1HSD17B10MAPTTDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101226198-A Enzymatical detection method of saccharify blood albumen as well as liquid stabilising agent WENZHOU THIRD PEOPLE S HOSPITA (CN) 2008-07-23 CN claimed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-101226198-A Enzymatical detection method of saccharify blood albumen as well as liquid stabilising agent WENZHOU THIRD PEOPLE S HOSPITA (CN) 2008-07-23 CN 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 4339/4885HSD17B10 1100/4885MAPT 3312/4885

“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.