SCHEMBL2767546

SCHEMBL2767546

Cc1cc([N+](=O)[O-])c2[nH]cc(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
GPR35 Q9HC97 1/20 0.44
TSHR P16473 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL6537457 0.74 GRIN2D (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6090060 0.73 DNA2 (0.56) KDM4EGPR35TSHRCYP3A4CYP1A2
SCHEMBL6537634 0.73 GRIN2D (0.49) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30224768 0.72 LMNA (0.36) KDM4EALDH1A1NQO2MTNR1AMTNR1B
SCHEMBL6537491 0.72 GRIN2D (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14502910 0.71 CYP1A2 (0.36) CYP3A4CYP1A2ALDH1A1MTNR1AMTNR1B
SCHEMBL27762912 0.71 KDM4E (0.38) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28453578 0.71 CYP1A2 (0.41) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11539985 0.70 GPR35 (0.68) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2771976 0.70 CYP3A4 (0.33) KDM4ETSHRCYP3A4ALDH1A1MAPT

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 16 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
EP-1258252-B1 INTEGRIN EXPRESSION INHIBITORS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 CN disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 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 (5 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 KDM4E 2229/4885GRIN2D 2743/4885GRIN3B 1139/4885
US-20020128480-A1 Sulfonamide-containing indole compounds IDO1, HCCS, VEGFA KDM4E 1202/4885GRIN2D 4015/4885GRIN3B 4296/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 KDM4E 2229/4885GRIN2D 2743/4885GRIN3B 1139/4885
US-20020128483-A1 Sulfonamide-containing indole compounds IDO1, HCCS, VEGFA KDM4E 1229/4885GRIN2D 4098/4885GRIN3B 4366/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 KDM4E 2279/4885GRIN2D 2577/4885GRIN3B 1037/4885

“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.