SCHEMBL4589115

SCHEMBL4589115

Nc1ccc(-c2ccccc2-c2cc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.51
PDE7B Q9NP56 3/20 0.48
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.40
EIF4E P06730 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL19997911 0.88 ALDH1A1 (0.57) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL26191612 0.88 ALDH1A1 (0.61) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL19997893 0.88 ALDH1A1 (0.61) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL2332563 0.86 TDP1 (0.47) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL5415102 0.82 PDE7A (0.58) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL19997903 0.82 MAPK1 (0.45) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL25941799 0.80 ALDH1A1 (0.58) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL17870898 0.80 ALDH1A1 (0.50) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL25941822 0.80 ALDH1A1 (0.50) PDE7APDE7BMAPK1TSHRTDP1
SCHEMBL9261807 0.80 ALDH1A1 (0.61) PDE7APDE7BMAPK1TSHRTDP1

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-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-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 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 (3 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 PDE7A 838/4885PDE7B 393/4885MAPK1 1064/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE7A 916/4885PDE7B 486/4885MAPK1 1255/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG PDE7A 916/4885PDE7B 486/4885MAPK1 1255/4885

“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.