SCHEMBL2645201

SCHEMBL2645201

N#Cc1cccc(F)c1Oc1cc([N+](=O)[O-])c(N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.45
GRM6 O15303 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
PIN1 Q13526 1/20 0.36
MAPT P10636 3/20 0.36
VCAM1 P19320 1/20 0.35
MERTK Q12866 1/20 0.34
AR P10275 1/20 0.34
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
TDP1 Q9NUW8 5/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2645198 0.84 HSPB1 (0.42) HSPB1GRM6GRIA1GRIA2GRIA3
SCHEMBL2645951 0.81 PIN1 (0.47) HSPB1PIN1MAPTVCAM1MERTK
SCHEMBL15820839 0.77 HSPB1 (0.59) HSPB1PIN1MAPTTDP1POLB
SCHEMBL22470370 0.76 HSPB1 (0.57) HSPB1GRM6GRIA1GRIA2GRIA3
SCHEMBL458453 0.74 VCAM1 (0.44) GRM6GRIA1GRIA2GRIA3GRIA4
SCHEMBL2644811 0.74 KDM4E (0.44) HSPB1MAPTARBCAT2BCAT1
SCHEMBL2645195 0.71 AR (0.34) ARBCAT2BCAT1SLC22A12
SCHEMBL30164317 0.69 HTT (0.49) MAPTTDP1POLBMEN1KMT2A
SCHEMBL17538471 0.69 VCAM1 (0.44) GRM6GRIA1GRIA2GRIA3GRIA4
SCHEMBL3991945 0.69 HTT (0.49) MAPTTDP1POLBMEN1KMT2A

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 HSPB1 3024/4885GRM6 862/4885GRIA1 974/4885

“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.