SCHEMBL3066347

SCHEMBL3066347

CC(=O)NCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PKM P14618 1/20 0.55
THRB P10828 1/20 0.54
ALOX12 P18054 1/20 0.54
LMNA P02545 2/20 0.54
NQO2 P16083 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL13649463 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL16594624 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL2828273 0.87 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL2828269 0.87 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL951041 0.85 PTPN1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30791550 0.85 PTPN1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL12862921 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL29673865 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL29673798 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL27608578 0.83 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
WO-2009124962-A2 SULFONAMIDES MERCK SERONO S.A. (CH) 2009-10-15 WO disclosed
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 EP disclosed
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 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 (4 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 ALDH1A1 1256/4885SMN1; SMN2 2639/4885HPGD 4076/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 ALDH1A1 1256/4885SMN1; SMN2 2639/4885HPGD 4076/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 ALDH1A1 1266/4885SMN1; SMN2 2404/4885HPGD 4084/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 ALDH1A1 1018/4885SMN1; SMN2 1987/4885HPGD 2152/4885

“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.