SCHEMBL7127616

SCHEMBL7127616

COc1c(Br)ccc(C(=O)O)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
GPR35 Q9HC97 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.49
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
TPMT P51580 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 2/20 0.40
PKM P14618 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL6215179 0.86 HSD17B10 (0.55) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL979782 0.83 HSD17B10 (0.51) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL29057071 0.83 HSD17B10 (0.47) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL7128064 0.83 GPR35 (0.40) HSD17B10GPR35TDP1MAPTTPMT
SCHEMBL2337418 0.83 MAPT (0.66) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL24165077 0.83 HSD17B10 (0.51) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL16108030 0.81 HSD17B10 (0.50) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL592060 0.81 HSD17B10 (0.50) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL27819508 0.81 ALDH1A1 (0.58) HSD17B10GPR35TDP1MAPTLCK
SCHEMBL16108037 0.81 HSD17B10 (0.50) HSD17B10GPR35TDP1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 HSD17B10 1202/4885GPR35 3507/4885TDP1 2273/4885

“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.