SCHEMBL4178453

SCHEMBL4178453

O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(Cl)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
CYP1A2 P05177 2/20 0.56
MAPT P10636 11/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
CGAS Q8N884 1/20 0.48
RECQL P46063 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL22232691 0.82 GAA (0.69) GAACYP1A2MAPTKMT2AMEN1
SCHEMBL30485792 0.82 GAA (0.69) GAACYP1A2MAPTKMT2AMEN1
SCHEMBL4189252 0.81 ALOX15 (0.58) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL4187822 0.79 GRM5 (0.51) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7118616 0.77 SMN1; SMN2 (0.67) GAACYP1A2MAPTKMT2AMEN1
SCHEMBL4182877 0.76 PTGS1 (0.55) GAANPC1RAB9A
SCHEMBL22232687 0.76 NPC1 (0.80) GAACYP1A2MAPTKMT2AMEN1
SCHEMBL30485791 0.76 NPC1 (0.80) GAACYP1A2MAPTKMT2AMEN1
SCHEMBL25384712 0.75 GAA (0.63) GAACYP1A2MAPTKMT2AMEN1
SCHEMBL5016607 0.75 ALDH1A1 (0.65) GAACYP1A2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B GAA 2939/4885CYP1A2 27/4885MAPT 4581/4885

“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.