SCHEMBL1504555

SCHEMBL1504555

Cc1ccc(NC(=O)Nc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
MAPT P10636 7/20 1.00
LMNA P02545 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
MAPK1 P28482 3/20 1.00
HTT P42858 3/20 0.70
GAA P10253 2/20 0.70
HPGD P15428 2/20 0.60
IDH1 O75874 1/20 0.58
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PPIA P62937 1/20 0.56
APP P05067 1/20 0.56
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55

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
SCHEMBL11326938 0.92 KMT2A (0.85) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL27601335 0.88 MAPT (0.79) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2312499 0.86 KMT2A (0.75) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2312502 0.86 KMT2A (0.75) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10005082 0.84 MAPT (0.74) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL29502906 0.84 MAPT (0.74) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL11327612 0.84 KMT2A (0.72) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3462584 0.84 MEN1 (0.76) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4341820 0.84 MAPT (0.72) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL22025453 0.83 MAPT (0.70) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B8 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-09-21 EP disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
CN-101675034-A Pyridone derivatives as p38a mapk inhibitors ASTELLAS PHARMA INC 2010-03-17 CN disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
EP-2155683-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS Astellas Pharma Inc. (JP) 2010-02-24 EP disclosed
WO-2008140066-A2 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2008-11-20 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 MEN1 4446/4885KMT2A 338/4885MAPT 3365/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B MEN1 4730/4885KMT2A 2144/4885MAPT 2831/4885

“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.