SCHEMBL2644513

SCHEMBL2644513

CCS(=O)(=O)c1ccc(Oc2cc([N+](=O)[O-])c(C(N)=O)cc2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
GCK P35557 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL2646046 0.90 NR1H2 (0.38) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2644208 0.86 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAGCK
SCHEMBL2646047 0.75 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2646549 0.73 GCK (0.36) LMNAGCKMEN1KMT2AGAA
SCHEMBL2644509 0.71 GCK (0.33) GCK
SCHEMBL2644830 0.70 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2644356 0.69 CACNA1C (0.39) GCKSCN9A
SCHEMBL2644608 0.69 TRPA1 (0.41)
SCHEMBL2644788 0.68 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2645796 0.68 MAPT (0.39) MAPTSMN1; SMN2GCKMEN1KMT2A

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 MAPT 3676/4885ALDH1A1 1188/4885SMN1; SMN2 832/4885

“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.