SCHEMBL5520652

SCHEMBL5520652

Cc1cc([N+](=O)[O-])ccc1NC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
HTT P42858 4/20 0.64
LMNA P02545 3/20 0.64
GRIN2D O15399 2/20 0.64
GRIN3B O60391 2/20 0.64
GRIN1 Q05586 2/20 0.64
GRIN2A Q12879 2/20 0.64
GRIN2B Q13224 2/20 0.64
GRIN2C Q14957 2/20 0.64
GRIN3A Q8TCU5 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
ALDH1A1 P00352 6/20 0.64
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60

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
SCHEMBL5527561 0.87 HTT (0.65) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL3271853 0.87 ALDH1A1 (0.68) MAPTHTTLMNAGRIN2DGRIN3B
SCHEMBL4490833 0.87 ALDH1A1 (0.68) MAPTHTTLMNAGRIN2DGRIN3B
SCHEMBL11876436 0.86 GRIN2D (0.63) MAPTHTTLMNAGRIN2DGRIN3B
SCHEMBL5532892 0.86 ALDH1A1 (0.71) MAPTHTTLMNAGRIN2DGRIN3B
SCHEMBL11263800 0.86 HTT (0.59) MAPTHTTLMNAGRIN2DGRIN3B
SCHEMBL30168131 0.85 HTT (0.74) MAPTHTTLMNAGRIN2DGRIN3B
SCHEMBL1285405 0.85 HTT (0.74) MAPTHTTLMNAGRIN2DGRIN3B
Urea SCHEMBL2156770 0.83 TRPV1 (0.70) MAPTHTTLMNAALDH1A1TAS1R3
SCHEMBL11878124 0.83 GRIN2D (0.76) MAPTHTTLMNAGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101014591-A Novel substituted thiophenecarboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-08-08 CN disclosed
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-1317456-A2 CYCLIC AND ACYCLIC AMIDINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2003-06-11 EP disclosed
WO-2002020526-A2 CYCLIC AND ACYCLIC AMIDINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-03-14 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 (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 MAPT 680/4885HTT 583/4885LMNA 2932/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MAPT 517/4885HTT 500/4885LMNA 3391/4885

“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.