SCHEMBL4744863

SCHEMBL4744863

COc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
LMNA P02545 4/20 0.64
TDP1 Q9NUW8 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MAPK1 P28482 3/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
IDO1 P14902 1/20 0.56
ALDH3A1 P30838 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
ALPG P10696 1/20 0.54
AKR1C3 P42330 4/20 0.53
AKR1C2 P52895 4/20 0.53
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49

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
SCHEMBL2328384 0.92 MAPT (0.58) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL4932340 0.89 MAPT (0.73) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL4930929 0.88 MAPT (0.68) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL4930639 0.87 L3MBTL1 (0.62) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL4930700 0.86 MAPT (0.58) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL4932124 0.85 MAPT (0.63) MAPTLMNATDP1L3MBTL1HTT
SCHEMBL4932353 0.85 MEN1 (0.60) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL4933766 0.84 MAPT (0.67) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL2324309 0.84 L3MBTL1 (0.56) MAPTLMNATDP1L3MBTL1MAPK1
SCHEMBL2902330 0.83 MAPT (0.65) MAPTLMNATDP1L3MBTL1MAPK1

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
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 MAPT 4574/4885LMNA 4744/4885TDP1 4558/4885

“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.