SCHEMBL4686579

SCHEMBL4686579

Nc1cccc(Oc2nccs2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
MAOB P27338 2/20 0.50
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 3/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LTA4H P09960 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP1 Q9C000 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL8052741 0.80 TLR4 (0.52) TLR4TLR2MAPTPOLBCYP3A4
SCHEMBL12100240 0.80 TLR4 (0.52) TLR4TLR2MEN1KMT2ASMN1; SMN2
SCHEMBL7355562 0.80 TLR4 (0.52) TLR4TLR2MEN1KMT2ASMN1; SMN2
SCHEMBL8557561 0.80 TLR4 (0.52) TLR4TLR2MAPTALDH1A1MEN1
SCHEMBL5431733 0.80 TLR4 (0.52) TLR4TLR2MAOBPOLBALDH1A1
SCHEMBL1371678 0.79 MEN1 (0.50) TLR4TLR2MAOBMAPTPOLB
SCHEMBL2110045 0.78 TLR4 (0.49) TLR4TLR2MAPTTP53ALDH1A1
SCHEMBL11730823 0.78 NR4A1 (0.53) TLR4TLR2HSP90AA1ALDH1A1MEN1
SCHEMBL9367822 0.77 TLR4 (0.47) TLR4TLR2P2RX3
SCHEMBL2539410 0.76 TLR4 (0.66) TLR4TLR2MAOBMAPTPOLB

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-8748627-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-06-10 US disclosed
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP disclosed
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 US disclosed
WO-2007095602-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 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-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 TLR4 3416/4885TLR2 2927/4885MAOB 1356/4885

“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.