SCHEMBL3790004

SCHEMBL3790004

Nc1cccc(Sc2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
NSD2 O96028 1/20 0.49
MAPK1 P28482 1/20 0.49
DHFR P00374 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 2/20 0.39
ADORA2A P29274 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.37
TYMS P04818 2/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL3784494 0.91 HPGD (0.46) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL4962528 0.90 MAPT (0.44) MAPTKDM4ENSD2MAPK1MEN1
SCHEMBL3790685 0.88 MAOA (0.48) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL3800110 0.83 MAPT (0.56) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL11546 0.79 MAPT (0.56) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL29613097 0.79 MAPT (0.56) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL11579534 0.79 MAPT (0.75) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL17292796 0.78 MAPK1 (0.59) MAPTKDM4ENSD2MAPK1DHFR
SCHEMBL3788453 0.78 MAPT (0.41) MAPTKDM4EDHFRMEN1KMT2A
SCHEMBL433052 0.78 DHFR (0.46) MAPTKDM4ENSD2MAPK1DHFR

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 MAPT 3312/4885KDM4E 2606/4885NSD2 3364/4885

“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.