SCHEMBL4590119

SCHEMBL4590119

O=C(O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.48
HDAC1 Q13547 5/20 0.47
TOP1 P11387 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
PDE2A O00408 3/20 0.47
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
P2RY12 Q9H244 1/20 0.47
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
FABP1 P07148 1/20 0.45

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
SCHEMBL2323182 0.96 PPARA (0.48) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2328941 0.96 PPARA (0.48) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2323904 0.96 PPARA (0.48) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL9281733 0.95 PDE3B (0.47) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2331629 0.94 ESR1 (0.53) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2327181 0.94 PPARG (0.52) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2330389 0.93 LTB4R (0.48) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2330309 0.93 LTB4R (0.52) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2327887 0.92 PPARG (0.46) LTB4RHDAC1TOP1PPARGPPARA
SCHEMBL2329776 0.92 SIRT2 (0.51) LTB4RHDAC1TOP1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US 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 (2 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 LTB4R 135/4885HDAC1 331/4885TOP1 2199/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG LTB4R 40/4885HDAC1 254/4885TOP1 3619/4885

“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.