SCHEMBL4028956

SCHEMBL4028956

Cc1c(NC(N)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.71
LMNA P02545 2/20 0.69
ALDH1A1 P00352 4/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
TAS1R2 Q8TE23 1/20 0.63
KMT2A Q03164 5/20 0.61
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
MAPK1 P28482 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 3/20 0.59
MAPT P10636 2/20 0.59
CYP2D6 P10635 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL11551428 0.87 POLB (0.75) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11325469 0.87 LMNA (0.83) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL6789579 0.85 POLB (0.68) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL1745798 0.84 KMT2A (0.71) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL30388225 0.84 KMT2A (0.71) POLBALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL1335449 0.83 POLB (1.00) POLBLMNAALDH1A1CYP2C9CYP2C19
Acetic Acid SCHEMBL29589279 0.83 POLB (0.69) POLBLMNAALDH1A1CYP2C9CYP2C19
Acetic Acid SCHEMBL28756645 0.83 POLB (0.69) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL6205171 0.82 KMT2A (0.54) POLBLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL11323044 0.82 LMNA (0.71) POLBLMNAALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP disclosed
US-5508288-A Indole derivatives as 5HT1C antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1996-04-16 US disclosed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO disclosed
EP-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
EP-0630373-A1 INDOLE DERIVATIVES AS 5HT1C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO disclosed
WO-1993018028-A1 INDOLE DERIVATIVES AS 5HT1C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 WO disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 POLB 4518/4885LMNA 2932/4885ALDH1A1 2069/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 POLB 3369/4885LMNA 3391/4885ALDH1A1 2036/4885

“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.