SCHEMBL5374945

SCHEMBL5374945

O=Cc1cc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.51
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GAA P10253 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 1/20 0.40
RHEB Q15382 1/20 0.39
ERN1 O75460 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 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
SCHEMBL24113494 0.78 ERN1 (0.45) GRIN1ALDH1A1MAPTKDM4EGRIN2D
SCHEMBL29956059 0.76 DAO (0.53) ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2
SCHEMBL7873195 0.76 DAO (0.53) ALDH1A1MAPTKDM4ECYP2A6SMN1; SMN2
Formic Acid SCHEMBL28248855 0.73 GRIN1 (0.51) GRIN1ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL20536122 0.72 RHEB (0.61) KDM4EGAAHSD17B10CYP2A6RHEB
SCHEMBL8349672 0.72 CYP2A6 (0.43) ALDH1A1MAPTKDM4EGAACYP2A6
SCHEMBL20571353 0.71 ALDH1A1 (0.42) GRIN1ALDH1A1MAPTKDM4EGRIN2D
SCHEMBL669692 0.69 GRIN1 (0.52) GRIN1ALDH1A1KDM4EGRIN2DGRIN3B
SCHEMBL286843 0.69 CYP2A6 (0.58) GRIN1ALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL12620995 0.69 CYP2A6 (0.44) ALDH1A1MAPTKDM4ECYP2A6TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 WO disclosed
WO-2000071522-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS METHIONYL T-RNA SYNTHETASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 GRIN1 1484/4885ALDH1A1 1318/4885MAPT 3985/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 GRIN1 719/4885ALDH1A1 2083/4885MAPT 4570/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 GRIN1 1820/4885ALDH1A1 1422/4885MAPT 4065/4885

“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.