SCHEMBL2646859

SCHEMBL2646859

COc1ccccc1Oc1cc(F)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PIN1 Q13526 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
HSPB1 P04792 1/20 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
SCHEMBL16052765 0.85 HTT (0.50) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL5943918 0.81 MEN1 (0.47) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2643872 0.80 PIN1 (0.43) MAPTSMN1; SMN2POLBPIN1HSPB1
SCHEMBL1340528 0.78 L3MBTL1 (0.71) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL2643882 0.76 ALDH1A1 (0.52) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL1341358 0.76 SLC6A2 (0.50) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL1341474 0.76 ALDH1A1 (0.53) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL1341337 0.75 L3MBTL1 (0.71) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL104227 0.75 TDP1 (0.53) L3MBTL1HTTTDP1ALDH1A1MAPT
SCHEMBL25187742 0.75 PKM (0.45) L3MBTL1HTTTDP1ALDH1A1MAPT

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 L3MBTL1 2125/4885HTT 1433/4885TDP1 2412/4885

“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.