SCHEMBL4029678

SCHEMBL4029678

Cc1cc(NC(N)=O)c([N+](=O)[O-])cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
RECQL P46063 1/20 0.56
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.53
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL11223415 0.92 RECQL (0.51) MAPTRECQLHTTTP53ALDH1A1
SCHEMBL29725300 0.84 RECQL (0.57) MAPTRECQLHTTTP53ALDH1A1
SCHEMBL14903460 0.84 RECQL (0.57) MAPTRECQLHTTTP53ALDH1A1
SCHEMBL5523947 0.80 KCNMA1 (0.64) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL11460373 0.79 CXCR2 (0.46) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL29064908 0.79 RECQL (0.63) MAPTRECQLHTTTP53ALDH1A1
SCHEMBL2554351 0.79 RECQL (0.52) MAPTRECQLHTTTP53ALDH1A1
SCHEMBL9363966 0.79 RECQL (0.63) MAPTRECQLHTTTP53ALDH1A1
SCHEMBL11226759 0.78 LMNA (0.50) MAPTHTTALDH1A1KMT2ALMNA
Acetamide SCHEMBL17254513 0.78 HCAR3 (0.54) MAPTRECQLHTTTP53ALDH1A1

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-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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 (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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPT 680/4885RECQL 2280/4885HTT 583/4885

“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.