SCHEMBL2644512

SCHEMBL2644512

N#Cc1ccccc1Oc1cc(Sc2ccc(C(=O)O)cc2)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
MAPK14 Q16539 1/20 0.36
PIN1 Q13526 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
EZH2 Q15910 3/20 0.34
AR P10275 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2646298 0.89 LMNA (0.38) LPAR1LPAR5MAPK14PIN1LMNA
SCHEMBL2643872 0.76 PIN1 (0.43) PIN1SLC22A12MAPT
SCHEMBL2644947 0.74 HPGD (0.41) LPAR1LPAR5MAPK14MAPTEZH2
SCHEMBL2645460 0.72 MAPK14 (0.39) LPAR1LPAR5MAPK14MAPTEZH2
SCHEMBL14967208 0.68 LPAR1 (0.72) LPAR1LPAR5MAPK14EZH2
SCHEMBL2645951 0.66 PIN1 (0.47) PIN1SLC22A12MAPTEZH2HPGD
SCHEMBL14967107 0.65 EZH2 (0.60) LPAR1LPAR5MAPK14EZH2AR
SCHEMBL9132057 0.64 HPGD (0.58) PIN1LMNAALDH1A1HPGD
SCHEMBL30418652 0.63 TDP1 (0.46) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL9265794 0.62 HTT (0.57) LPAR1LPAR5MAPK14MAPTKDM4E

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 LPAR1 4613/4885LPAR5 4604/4885MAPK14 977/4885

“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.