SCHEMBL5388300

SCHEMBL5388300

Cc1cc(C)c(Nc2ccccc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.57
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASP7 P55210 1/20 0.56
MAPT P10636 6/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAPGEF4 Q8WZA2 4/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 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
SCHEMBL16531986 0.88 MAPK1 (0.53) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL6392737 0.87 MAPK1 (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL23682559 0.83 TDP1 (0.54) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL5383394 0.80 RAPGEF4 (0.47) MAPK1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL4055339 0.80 MAPK1 (0.62) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL2199650 0.78 RAPGEF4 (0.70) RAPGEF4
SCHEMBL397773 0.78 MAPK1 (0.77) MAPK1ALDH1A1TDP1L3MBTL1CASP7
Ammonia Solution, Strong SCHEMBL27787948 0.78 MAPK1 (0.61) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL497223 0.77 MAPK1 (0.74) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL28379811 0.77 MAPT (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170012222-A1 ELECTROACTIVE METAL COMPLEXES LG CHEM, LTD. (KR) 2017-01-12 US disclosed
WO-2015112561-A1 ELECTROACTIVE METAL COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-30 WO disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-6888004-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US disclosed
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
US-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
CN-1499972-A Imidazolyl derivatives as corticotropin releasing factor inhibitors ����˹�ж�-����˹˹������˾ 2004-05-26 CN disclosed
EP-1359916-A4 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-04-07 EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 EP disclosed
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-12-05 US disclosed
WO-2002058704-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 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 (6 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-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 MAPK1 191/4885ALDH1A1 2593/4885TDP1 4511/4885
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 MAPK1 191/4885ALDH1A1 2593/4885TDP1 4511/4885
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 MAPK1 191/4885ALDH1A1 2593/4885TDP1 4511/4885
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 MAPK1 191/4885ALDH1A1 2593/4885TDP1 4511/4885
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 MAPK1 191/4885ALDH1A1 2593/4885TDP1 4511/4885
US-20170012222-A1 ELECTROACTIVE METAL COMPLEXES AFF1, AFF4, AFF2 MAPK1 1111/4885ALDH1A1 746/4885TDP1 4706/4885

“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.