SCHEMBL4354229

SCHEMBL4354229

O=[N+]([O-])c1cccc2[nH]c(C(Cl)(Cl)Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
ADORA3 P0DMS8 1/20 0.50
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PDE10A Q9Y233 1/20 0.45
NOS1 P29475 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NOS2 P35228 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL5364806 0.86 GAA (0.55) PKN1PKN2ADORA3GAAMGAM
SCHEMBL6118599 0.81 PKN1 (0.58) PKN1PKN2ADORA3GAAMGAM
SCHEMBL6332531 0.80 PKN1 (0.61) PKN1PKN2ADORA3GAAMGAM
SCHEMBL1013588 0.79 PKN1 (0.60) PKN1PKN2ADORA3GAAMGAM
SCHEMBL28603464 0.78 PKN1 (0.58) PKN1PKN2ADORA3GAAMGAM
SCHEMBL837903 0.78 PKN1 (0.58) PKN1PKN2ADORA3GAAMGAM
SCHEMBL8663375 0.78 PKN1 (0.58) PKN1PKN2ADORA3GAAMGAM
SCHEMBL30132368 0.78 PKN1 (0.58) PKN1PKN2ADORA3GAAMGAM
SCHEMBL4888425 0.77 PKN1 (0.55) PKN1PKN2ADORA3GAAMGAM
SCHEMBL6995989 0.76 PKN1 (0.57) PKN1PKN2ADORA3GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098846-B N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-10-09 CN disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 CN disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 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 (2 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-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 PKN1 3672/4885PKN2 3641/4885ADORA3 291/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 PKN1 1519/4885PKN2 1730/4885ADORA3 1107/4885

“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.