SCHEMBL1798448

SCHEMBL1798448

O=CNc1ccccc1-c1ccccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KDM5A P29375 2/20 0.34
ENPP2 Q13822 1/20 0.33
LMNA P02545 2/20 0.33
MDM2 Q00987 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TRIM24 O15164 1/20 0.31

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
SCHEMBL7189586 0.85 TSHR (0.43) PABPC1TSHRALDH1A1KDM5AENPP2
SCHEMBL910658 0.76 ENPP2 (0.50) MAPTENPP2
SCHEMBL29126030 0.73 MAPT (0.49) ALDH1A1MAPTKDM4EPKMLMNA
SCHEMBL28628099 0.73 MEN1 (0.48) TSHRALDH1A1ENPP2LMNAHTT
SCHEMBL5364626 0.72 PABPC1 (0.44) PABPC1TSHRALDH1A1KDM5ACYP2C19
SCHEMBL2292418 0.71 ALDH1A1 (0.49) PABPC1TSHRALDH1A1MAPTKDM4E
SCHEMBL28166832 0.71 PABPC1 (0.52) PABPC1TSHRALDH1A1MAPTLMNA
SCHEMBL8763290 0.71 ALDH1A1 (0.57) PABPC1TSHRALDH1A1MAPTKDM5A
SCHEMBL30527294 0.71 ALDH1A1 (0.57) PABPC1TSHRALDH1A1MAPTKDM5A
SCHEMBL29876843 0.70 GAA (0.50) PABPC1TSHRALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PABPC1 1672/4885TSHR 3485/4885ALDH1A1 528/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 PABPC1 1672/4885TSHR 3485/4885ALDH1A1 528/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PABPC1 1672/4885TSHR 3485/4885ALDH1A1 528/4885

“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.