SCHEMBL5372944

SCHEMBL5372944

O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 7/20 0.53
PDE5A O76074 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL5370835 0.89 PDE5A (0.61) MEN1KMT2ANPC1MAPTPDE5A
SCHEMBL5370841 0.88 PDE5A (0.57) MEN1KMT2ANPC1MAPTPDE5A
SCHEMBL5373487 0.85 PDE5A (0.57) NPC1MAPTPDE5AALDH1A1LMNA
SCHEMBL5370948 0.84 FSCN1 (0.59) NPC1MAPTPDE5AALDH1A1LMNA
SCHEMBL5367780 0.83 PDE5A (0.54) MEN1KMT2ANPC1MAPTPDE5A
SCHEMBL1898413 0.81 PDE5A (0.67) NPC1MAPTPDE5AALDH1A1LMNA
SCHEMBL5564951 0.81 PDE5A (0.74) MEN1KMT2ANPC1MAPTPDE5A
SCHEMBL5365656 0.80 PDE5A (0.65) KMT2ANPC1MAPTPDE5AALDH1A1
SCHEMBL5374463 0.80 PDE5A (0.63) NPC1MAPTPDE5AALDH1A1LMNA
SCHEMBL3243497 0.80 PDE5A (0.52) NPC1MAPTPDE5AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300950-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-11-27 US disclosed
US-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US disclosed
US-6897232-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-24 US disclosed
EP-1418176-A1 Pyrazole derivates, their preparation and their use in drugs Aventis Pharma Deutschland GmbH (DE) 2004-05-12 EP disclosed
EP-0908456-B1 Pyrazole derivatives, their preparation and their use in drugs AVENTIS PHARMA GMBH (DE) 2003-12-17 EP disclosed
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH 2003-06-05 US disclosed
US-6162819-A Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-19 US disclosed
EP-0908456-A1 Pyrazole derivatives, their preparation and their use in drugs Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-14 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 (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-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3A, PDE3B, PDE5A MEN1 1282/4885KMT2A 4647/4885NPC1 2441/4885
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3B, PDE3A, PDE5A MEN1 2043/4885KMT2A 4854/4885NPC1 2201/4885

“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.