SCHEMBL3789210

SCHEMBL3789210

CCOc1cc(-c2ccccc2N)ccc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 3/20 0.71
KDM4E B2RXH2 2/20 0.71
MAPT P10636 2/20 0.71
HPGD P15428 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
MEN1 O00255 1/20 0.71
POLB P06746 1/20 0.71
MAPK1 P28482 1/20 0.71
KMT2A Q03164 1/20 0.71
DHFR P00374 2/20 0.50
PTPRC P08575 1/20 0.48
S1PR1 P21453 2/20 0.45
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KIT P10721 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3785716 0.87 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL27902945 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL136308 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL3781455 0.83 ALDH1A1 (0.82) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL3788055 0.81 ALDH1A1 (0.68) ALDH1A1HSD17B10MAPTMEN1POLB
SCHEMBL3781528 0.81 APP (0.47) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL31457308 0.80 NCOA1 (0.46) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL26381942 0.77 ALDH1A1 (0.85) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL396847 0.77 TDP1 (0.53) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL2779956 0.77 ALDH1A1 (0.85) ALDH1A1HSD17B10KDM4EMAPTHPGD

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 4339/4885HSD17B10 1100/4885KDM4E 2606/4885

“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.