SCHEMBL7124940

SCHEMBL7124940

CCCc1c(OC2CCCC2)c2cc(Br)ccc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
PRNP P04156 1/20 0.41
CYP2C9 P11712 1/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RAB9A P51151 1/20 0.41
PDE2A O00408 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PDE9A O76083 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL7122490 0.87 HSD17B10 (0.62) HSD17B10TSHRRAB9AALDH1A1PDE9A
SCHEMBL7116744 0.86 SIRT1 (0.46) HSD17B10TSHRRAB9AALDH1A1PDE9A
SCHEMBL7119334 0.86 HSD17B10 (0.45) HSD17B10TSHRRAB9AALDH1A1PDE9A
SCHEMBL7117392 0.85 HSD17B10 (0.48) HSD17B10TSHRRXFP1ALDH1A1HPGD
SCHEMBL7124010 0.85 SIRT1 (0.45) HSD17B10TSHRRAB9AALDH1A1PDE9A
SCHEMBL7114914 0.83 SIRT1 (0.46) HSD17B10TSHRNPSR1RAB9AALDH1A1
SCHEMBL7119105 0.83 MEN1 (0.53) HSD17B10TSHRRAB9AALDH1A1PDE9A
SCHEMBL7114098 0.83 PDE9A (0.58) HSD17B10TSHRCYP1A2CYP2C19RAB9A
SCHEMBL7125625 0.81 KDM4E (0.43) HSD17B10TSHRNPSR1RAB9AALDH1A1
SCHEMBL7552947 0.79 SIRT1 (0.40) HSD17B10TSHRRAB9AALDH1A1PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US claimed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP claimed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 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-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 HSD17B10 1601/4885TSHR 4728/4885CYP1A2 174/4885

“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.