SCHEMBL7120331

SCHEMBL7120331

CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 7/20 0.42
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HTR6 P50406 2/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 3/20 0.37
CNR2 P34972 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
PTGS2 P35354 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL7552947 0.94 SIRT1 (0.40) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL7124010 0.86 SIRT1 (0.45) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL7122174 0.85 GHSR (0.39) LMNAMEN1KMT2AHTR2AHTR2C
SCHEMBL7116744 0.85 SIRT1 (0.46) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL7123361 0.83 SIRT1 (0.40) SIRT1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7114914 0.82 SIRT1 (0.46) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL7118632 0.80 SIRT1 (0.44) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL7114058 0.80 LMNA (0.36) SIRT1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7118690 0.74 MEN1 (0.40) SIRT1LMNAMEN1KMT2AMAPT
SCHEMBL7115575 0.73 SIRT1 (0.42) SIRT1OPRM1OPRD1OPRK1OPRL1

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 SIRT1 722/4885OPRM1 1274/4885OPRD1 751/4885

“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.