SCHEMBL2768545

SCHEMBL2768545

Cc1cc([N+](=O)[O-])c2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.47
GPR35 Q9HC97 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 3/20 0.36
NPC1 O15118 2/20 0.36

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
Ethoxycarbonyl Group SCHEMBL27762913 0.85 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1423220 0.81 TDP1 (0.43) TSHRCYP3A4KDM4EALDH1A1MAPT
SCHEMBL30978917 0.79 HRH4 (0.44) TSHRALDH1A1L3MBTL1MAPK1
SCHEMBL1983087 0.79 S100A4 (0.40) TSHRCYP3A4GPR35KDM4EALDH1A1
SCHEMBL6537634 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18825089 0.79 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMAPK1MEN1
SCHEMBL10179278 0.78 ALDH1A1 (0.43) KDM4EALDH1A1MAPTTDP1MAPK1
SCHEMBL22670427 0.78 MAPT (0.42) TSHRALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL30224871 0.76 FBP1 (0.36) TSHRCYP3A4KDM4EALDH1A1MAPT
SCHEMBL18825095 0.76 ALDH1A1 (0.51) TSHRCYP3A4KDM4EALDH1A1MAPT

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-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
WO-2017077307-A1 THERAPY AND PHARMACEUTICAL COMPOSITION UNIVERSITY OF SOUTHAMPTON (GB) 2017-05-11 WO disclosed
WO-2017077307-A1 THERAPY AND PHARMACEUTICAL COMPOSITION UNIVERSITY OF SOUTHAMPTON (GB) 2017-05-11 WO disclosed
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
US-6673787-B2 PYRIMIDINESULFONAMIDE CONTAINING INDOLE COMPOUNDS USED AS ANTIANGIOGENIC AND ANTITUMOR AGENTS EISAI CO., LTD. (JP) 2004-01-06 US disclosed
CN-1132814-C Sulfonamide-containing indole compounds EISAI CO.,LTD. (JP) 2003-12-31 CN disclosed
US-6638964-B2 Pyridinesulfonamide containing indole compounds used as antiangiogenic and antitumor agents EISAI CO., LTD. (JP) 2003-10-28 US disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
US-6469043-B1 ANTIANGIOGENIC AGENT WITH ANTITUMOR, ANTIMETASTATIC PROPERTIES WHICH SHOWS HIGH SAFETY EISAI CO., LTD. (JP) 2002-10-22 US disclosed
US-20020128483-A1 Sulfonamide-containing indole compounds EISAI CO., LTD. 2002-09-12 US disclosed
US-20020128480-A1 Sulfonamide-containing indole compounds EISAI CO., LTD. 2002-09-12 US disclosed
CN-1294579-A Sulfonamide-containing indole compounds EISAI CO LTD (JP) 2001-05-09 CN disclosed
EP-1074542-A1 SULFONAMIDE-CONTAINING INDOLE COMPOUNDS Eisai Co., Ltd. (JP) 2001-02-07 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 (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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 GRIN2D 2070/4885GRIN3B 3305/4885GRIN1 3046/4885
US-20020128480-A1 Sulfonamide-containing indole compounds IDO1, HCCS, VEGFA GRIN2D 4015/4885GRIN3B 4296/4885GRIN1 3106/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 GRIN2D 2743/4885GRIN3B 1139/4885GRIN1 2916/4885
US-20020128483-A1 Sulfonamide-containing indole compounds IDO1, HCCS, VEGFA GRIN2D 4098/4885GRIN3B 4366/4885GRIN1 3220/4885

“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.