SCHEMBL5384243

SCHEMBL5384243

O=[N+]([O-])c1ccccc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.61
EPAS1 Q99814 1/20 0.56
MAPK1 P28482 5/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
CASP7 P55210 1/20 0.54
MAPT P10636 6/20 0.52
PHGDH O43175 1/20 0.51
IDO1 P14902 1/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
APP P05067 1/20 0.48
NPC1 O15118 2/20 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
SCHEMBL11492017 0.87 TSHR (0.62) L3MBTL1MAPK1TSHRALDH1A1TDP1
SCHEMBL9362373 0.86 MAPT (0.61) L3MBTL1EPAS1MAPK1ALDH1A1TDP1
SCHEMBL2676946 0.85 MAPK1 (0.64) L3MBTL1EPAS1MAPK1ALDH1A1TDP1
SCHEMBL4939342 0.85 EPAS1 (0.60) L3MBTL1EPAS1MAPK1ALDH1A1TDP1
SCHEMBL8884629 0.84 MAPK1 (0.56) L3MBTL1EPAS1MAPK1TSHRALDH1A1
SCHEMBL4588213 0.82 L3MBTL1 (0.55) L3MBTL1EPAS1MAPK1ALDH1A1TDP1
SCHEMBL397773 0.81 MAPK1 (0.77) L3MBTL1EPAS1MAPK1ALDH1A1TDP1
Nitric Acid SCHEMBL11144683 0.80 TSHR (0.50) L3MBTL1MAPK1TSHRALDH1A1TDP1
SCHEMBL27498162 0.79 VCAM1 (0.63) L3MBTL1MAPK1ALDH1A1TDP1CASP7
SCHEMBL247794 0.79 L3MBTL1 (0.74) L3MBTL1EPAS1MAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7125990-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US 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
US-4853400-A IMIDAZOLE OR TRIAZOLE SUBSTITUTED INDAZOLE; SCHERING AGROCHEMICALS LIMITED (GB) 1989-08-01 US disclosed
US-4772613-A Fungicides SCHERING AGROCHEMICALS LTD. (GB) 1988-09-20 US disclosed
EP-0247760-A2 Benzoheterocyclic fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1987-12-02 EP disclosed
US-4510141-A (1,2,4) TRIAZOLO(1,5-A) QUINOXALINE OR PYRIDO(2,3-E)(U,2,4)TRIAZOLO(1,5-A)PYRAZINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1985-04-09 US disclosed
EP-0074929-A1 Polycyclic polyazaheterocycles, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1983-03-23 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-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 L3MBTL1 4510/4885EPAS1 2143/4885MAPK1 191/4885
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 L3MBTL1 4510/4885EPAS1 2143/4885MAPK1 191/4885

“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.