SCHEMBL3515932

SCHEMBL3515932

COC(=O)c1c(-c2cccc(Br)c2)ccnc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA1 P14867 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 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
SCHEMBL3519072 0.84 GABRA1 (0.54) BDKRB1NPC1RAB9AGABRG2GABRB3
SCHEMBL3516370 0.76 GABRG2 (0.39) BDKRB1MAPTNPC1RAB9AGABRG2
SCHEMBL16516403 0.73 PDGFRA (0.44) MAPTCYP1A2GAARECQLNPC1
SCHEMBL8324549 0.72 GABRA1 (0.50) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL23380459 0.72 PLAU (0.46) MAPTCYP1A2GAARECQLNPC1
SCHEMBL29141550 0.72 KDM4E (0.58) MAPTNPC1RAB9AGABRG2GABRB3
SCHEMBL964722 0.71 HSD17B10 (0.49) MAPTCYP1A2GAARECQLNPC1
SCHEMBL21723089 0.71 CA12 (0.42) BDKRB1GAAGABRG2GABRB3GABRA5
SCHEMBL16256873 0.71 CA12 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL18566666 0.71 SLC6A3 (0.68) MAPTGAANPC1RAB9AHSD17B10

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 BDKRB1 3633/4885MAPT 3237/4885CYP1A2 896/4885

“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.