SCHEMBL7123361

SCHEMBL7123361

CCCc1c(OCC2CCC2)c2cc(Cl)ccc2[nH]c1=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.40
HTR6 P50406 3/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
CHUK O15111 1/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA1D P25100 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7116736 0.87 SIRT1 (0.42) SIRT1HTR6SLC6A4MEN1KMT2A
SCHEMBL7113422 0.87 BCHE (0.38) MEN1KMT2ALMNAHTR2ASMN1; SMN2
SCHEMBL7115575 0.84 SIRT1 (0.42) SIRT1HTR6SLC6A4OPRM1OPRD1
SCHEMBL7120331 0.83 SIRT1 (0.42) SIRT1HTR6OPRM1OPRD1OPRK1
SCHEMBL7125974 0.82 SIRT1 (0.44) SIRT1MEN1KMT2AMAPTALDH1A1
SCHEMBL7552947 0.78 SIRT1 (0.40) SIRT1MEN1KMT2AMAPTLMNA
SCHEMBL7123048 0.78 LMNA (0.41) HTR6SLC6A4MEN1KMT2AMAPT
SCHEMBL7116504 0.74 TSHR (0.42) MAPTALDH1A1TSHR
SCHEMBL7121233 0.73 SIRT1 (0.42) SIRT1HTR6SLC6A4OPRM1OPRD1
SCHEMBL7114914 0.73 SIRT1 (0.46) SIRT1MEN1KMT2AMAPTLMNA

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 722/4885HTR6 1860/4885SLC6A4 1195/4885

“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.