SCHEMBL249792

SCHEMBL249792

N#Cc1cccc([N+](=O)[O-])c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
VCAM1 P19320 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
GPR35 Q9HC97 1/20 0.40
POLB P06746 2/20 0.39
KDM4D Q6B0I6 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 4/20 0.37
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 2/20 0.37
GRM6 O15303 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL27912601 0.87 ALDH1A1 (0.41) ALDH1A1HPGDVCAM1TDP1GPR35
SCHEMBL11032914 0.85 ALDH1A1 (0.49) ALDH1A1HPGDVCAM1TDP1GPR35
SCHEMBL6742108 0.85 ALDH1A1 (0.45) ALDH1A1HPGDVCAM1TDP1GPR35
SCHEMBL7167313 0.85 TDP1 (0.42) ALDH1A1HPGDTDP1GPR35MEN1
SCHEMBL6740750 0.83 ALDH1A1 (0.44) ALDH1A1HPGDVCAM1TDP1GPR35
SCHEMBL3420889 0.82 TDP1 (0.54) ALDH1A1HPGDTDP1GPR35MEN1
SCHEMBL248839 0.80 ALDH1A1 (0.41) ALDH1A1HPGDVCAM1TDP1GPR35
SCHEMBL8440815 0.80 ALDH1A1 (0.41) ALDH1A1HPGDVCAM1TDP1GPR35
SCHEMBL637086 0.78 TSHR (0.41) ALDH1A1HPGDCYP1A2TSHRLMNA
SCHEMBL897703 0.77 VCAM1 (0.46) ALDH1A1HPGDVCAM1TDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47122-E1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA University—Industry Collaboration Foundation (KR) 2018-11-13 US disclosed
EP-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 EP disclosed
EP-2588479-B3 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-03-29 EP disclosed
EP-2947081-A1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors Ewha University-Industry Collaboration Foundation (KR) 2015-11-25 EP disclosed
EP-2588479-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS UNIV EWHA IND COLLABORATION (KR) 2015-03-04 EP disclosed
EP-2588479-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS Ewha University-Industry Collaboration Foundation (KR) 2013-05-08 EP disclosed
WO-2012002680-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2012-01-05 WO disclosed
US-20110319406-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2011-12-29 US disclosed
US-8080568-B1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2011-12-20 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 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-20110319406-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS ALK, ACVR1, ACVRL1 ALDH1A1 1641/4885HPGD 3582/4885VCAM1 448/4885

“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.