Sugi Predict

Sugi Predict / Compounds / SCHEMBL1277858

SCHEMBL1277858

SCHEMBL1277858

CCOC(=O)c1cc2cc(C)cc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ XDH P47989 3/20 0.51
▸ FBP1 P09467 1/20 0.48
▸ MAPT P10636 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1277556 0.88 XDH (0.50) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2660383 0.88 XDH (0.50) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2661752 0.87 XDH (0.49) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13735209 0.87 HRH4 (0.57) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1278010 0.86 XDH (0.65) RAB9AALDH1A1HPGDXDHFBP1
SCHEMBL2661272 0.86 XDH (0.58) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1654327 0.83 XDH (0.53) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1277642 0.83 XDH (0.53) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL28459984 0.83 FBP1 (0.73) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1016404 0.83 APEX1 (0.65) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 — — US disclosed
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 — — US disclosed
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 — — US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 — — US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 — — EP disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 — — EP disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 — — US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 — — US 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
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
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 RAB9A 1119/4885ALDH1A1 1256/4885HPGD 4076/4885
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 RAB9A 3280/4885ALDH1A1 1309/4885HPGD 1608/4885
US-20020128480-A1 Sulfonamide-containing indole compounds IDO1, HCCS, VEGFA RAB9A 2411/4885ALDH1A1 417/4885HPGD 2532/4885
US-20020128483-A1 Sulfonamide-containing indole compounds IDO1, HCCS, VEGFA RAB9A 2447/4885ALDH1A1 422/4885HPGD 2535/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 RAB9A 1483/4885ALDH1A1 1266/4885HPGD 4084/4885

“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.