SCHEMBL3516370

SCHEMBL3516370

COC(=O)c1c(-c2cccc(Br)c2)ccnc1NOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
PPIA P62937 1/20 0.39
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MAOB P27338 1/20 0.36
BDKRB1 P46663 1/20 0.36
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
LRRK2 Q5S007 2/20 0.36
MAPK8 P45983 1/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL3515771 0.89 GABRA1 (0.42) GABRG2GABRB3GABRA5GABRA3PPIA
SCHEMBL3517722 0.76 ALDH1A1 (0.38) GABRG2GABRB3GABRA5GABRA3HPGD
SCHEMBL3515932 0.76 BDKRB1 (0.42) GABRG2GABRB3GABRA5GABRA3LMNA
SCHEMBL28235844 0.71 LMNA (0.45) PPIAHPGDLMNAMAOBNPC1
SCHEMBL3514925 0.71 ALDH1A1 (0.45) HPGDLMNALRRK2KDM4EALDH1A1
SCHEMBL2027844 0.70 L3MBTL1 (0.55) PPIAHPGDMAPTRAB9AKDM4E
SCHEMBL8324549 0.70 GABRA1 (0.50) GABRG2GABRB3GABRA5GABRA3HPGD
SCHEMBL3515532 0.68 PPIA (0.51) PPIAMAPTNPC1RAB9ATSHR
SCHEMBL14897954 0.67 AR (0.47) GABRG2GABRB3GABRA5GABRA3PPIA
SCHEMBL8798376 0.67 HSD17B10 (0.50) LMNAMAPTBDKRB1LRRK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL GABRG2 4822/4885GABRB3 4866/4885GABRA5 4841/4885

“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.