SCHEMBL4589453

SCHEMBL4589453

COc1ccc2nc(-c3ccccc3)n(-c3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
OXTR P30559 1/20 0.56
NPSR1 Q6W5P4 3/20 0.54
RAB9A P51151 2/20 0.54
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 3/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
DHFR P00374 1/20 0.47
G6PD P11413 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK10 P53779 2/20 0.47

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
SCHEMBL2326385 0.93 ALDH1A1 (0.59) ALDH1A1OXTRNPSR1RAB9AESR1
SCHEMBL2323164 0.91 GLA (0.61) ALDH1A1OXTRNPSR1RAB9AESR1
SCHEMBL2330609 0.91 ALDH1A1 (0.59) ALDH1A1OXTRNPSR1RAB9AGLA
SCHEMBL2327491 0.89 SIRT2 (0.49) ALDH1A1OXTRNPSR1RAB9AESR1
SCHEMBL2330775 0.88 GLA (0.57) ALDH1A1NPSR1RAB9AGLASMN1; SMN2
SCHEMBL2327808 0.88 ALDH1A1 (0.48) ALDH1A1OXTRNPSR1RAB9AESR1
SCHEMBL2330188 0.87 HDAC1 (0.49) ALDH1A1NPSR1RAB9AESR1ESR2
SCHEMBL2326240 0.87 ALDH1A1 (0.52) ALDH1A1NPSR1RAB9AESR1ESR2
SCHEMBL2323260 0.87 ALDH1A1 (0.53) ALDH1A1OXTRNPSR1RAB9AESR1
SCHEMBL2332092 0.86 ALDH1A1 (0.58) ALDH1A1OXTRNPSR1RAB9AESR1

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 ALDH1A1 29/4885OXTR 4088/4885NPSR1 1668/4885
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885OXTR 4292/4885NPSR1 1912/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG ALDH1A1 118/4885OXTR 4292/4885NPSR1 1912/4885

“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.