SCHEMBL2817686

SCHEMBL2817686

c1ccc(-c2cccnc2Nc2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCG2 Q9UNQ0 3/20 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
SCHEMBL2817231 0.80 ABCG2 (0.38) ALDH1A1MAPK1ABCG2CDK5KDM1A
SCHEMBL1103197 0.76 TNF (0.43) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL1103187 0.76 TNF (0.46) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL1102991 0.76 KDM4E (0.42) TNFBCHEACHEALDH1A1KDM4E
SCHEMBL1103202 0.74 TNF (0.41) TNFBCHEALDH1A1KDM4EMAPT
SCHEMBL26263189 0.74 TNF (0.52) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL3414833 0.74 MAPT (0.47) TNFALDH1A1KDM4EMAPTHPGD
Biphenyl SCHEMBL27770404 0.74 ALDH1A1 (0.50) TNFALDH1A1KDM4EMAPTHPGD
SCHEMBL1103088 0.73 KDM4E (0.40) TNFBCHEACHEALDH1A1KDM4E
SCHEMBL1103117 0.73 KDM4E (0.40) TNFALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100164371-A1 ELECTRON TRANSPORTING-INJECTION COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG. DISPLAY CO. LTD. (KR) 2010-07-01 US 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-20100164371-A1 ELECTRON TRANSPORTING-INJECTION COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLCO4C1, SLCO2A1, SLCO2B1 TNF 4506/4885BCHE 4117/4885ACHE 3840/4885

“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.