SCHEMBL6176980

SCHEMBL6176980

O=C(Cc1ccc(OCc2ccccc2)cc1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.56
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
P4HTM Q9NXG6 1/20 0.51
LMNA P02545 3/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
MAOB P27338 1/20 0.50
PARP10 Q53GL7 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL1515752 0.86 LMNA (0.59) P4HTMLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL19631966 0.83 NR4A2 (0.57) ALOX5NR4A1NR4A2NR4A3P4HTM
SCHEMBL6177225 0.83 ALOX5 (0.50) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL6177229 0.83 ALOX5 (0.50) ALOX5NR4A1NR4A2NR4A3FFAR1
SCHEMBL38661938 0.82 SMN1; SMN2 (0.63) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL5232062 0.82 SMN1; SMN2 (0.63) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4328697 0.79 LMNA (0.55) P4HTMLMNASMN1; SMN2ALDH1A1SRD5A2
SCHEMBL38661316 0.79 SMN1; SMN2 (0.53) LMNASMN1; SMN2MITFALDH1A1MAPT
SCHEMBL38661098 0.79 GRM4 (0.52) LMNASMN1; SMN2GAAMAPT
SCHEMBL4220632 0.79 NR4A1 (0.72) ALOX5NR4A1NR4A2NR4A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ALOX5 1898/4885NR4A1 302/4885NR4A2 452/4885

“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.