Sugi Predict

Sugi Predict / Compounds / SCHEMBL1260652

SCHEMBL1260652

SCHEMBL1260652

O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.60
▸ SMAD3 P84022 1/20 0.58
▸ CYP19A1 P11511 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ APEX1 P27695 2/20 0.57
▸ F7 P08709 1/20 0.57
▸ F3 P13726 1/20 0.57
▸ PIN1 Q13526 1/20 0.57
▸ PDPK1 O15530 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ MAPT P10636 3/20 0.53
▸ DAO P14920 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53

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
SCHEMBL1156515 1.00 HRH4 (0.60) HRH4SMAD3CYP19A1KDM4EHPGD
SCHEMBL8794605 0.98 HRH4 (0.59) HRH4SMAD3CYP19A1KDM4EHPGD
Dimethylformamide SCHEMBL28004366 0.90 HRH4 (0.55) HRH4SMAD3CYP19A1KDM4EHPGD
SCHEMBL27885276 0.89 HRH4 (0.61) HRH4CYP19A1ALDH1A1MAPTKMT2A
SCHEMBL396212 0.87 HRH4 (0.60) HRH4SMAD3KDM4EHPGDHSD17B10
SCHEMBL931628 0.87 NHERF1 (0.52) HRH4SMAD3CYP19A1LMNAKMT2A
SCHEMBL5677316 0.86 FLT3 (0.54) HRH4SMAD3CYP19A1KDM4EHPGD
SCHEMBL12862878 0.86 HRH4 (0.62) HRH4CYP19A1ALDH1A1PIN1MAPT
SCHEMBL28680383 0.86 HRH4 (0.59) HRH4CYP19A1ALDH1A1F7F3
SCHEMBL5207050 0.86 HRH4 (0.59) HRH4CYP19A1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 — — EP claimed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 — — EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 — — EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
US-7329760-B2 CC-1065 analog synthesis IMMUNOGEN INC. (US) 2008-02-12 — — US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 — — EP disclosed
EP-1492766-B1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2007-05-02 — — EP disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 — — US disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 — — US disclosed
WO-2003087055-A1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN, INC. (US) 2003-10-23 — — WO disclosed
US-20030195365-A1 CC-1065 analog synthesis IMMUNOGEN INC. 2003-10-16 — — US disclosed
US-20030153751-A1 Inhibitors of phospholipase enzymes AMERICAN HOME PRODUCTS CORPORATION 2003-08-14 — — US disclosed
US-6586618-B1 Amination 1,3-dihydoxynaphthalene, then blocking, iodination, alkylation, cyclization and deblocking to give (5-hydroxy-3-amino-1-(S)-(chloromethyl)-1,2-dihydro-3H-benz(e)indole), used as chemical intermediates of antitumor agents IMMUNOGEN INC. 2003-07-01 — — US disclosed
WO-2003010141-A2 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-02-06 — — WO disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 — — WO disclosed
EP-1056719-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-06 — — EP disclosed
WO-1999043651-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 — — 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 (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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 HRH4 296/4885SMAD3 1905/4885CYP19A1 1111/4885
US-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E HRH4 451/4885SMAD3 3968/4885CYP19A1 4159/4885
US-20030153751-A1 Inhibitors of phospholipase enzymes PLA2G4C, PLA2G4B, PLA2G4A HRH4 3014/4885SMAD3 4791/4885CYP19A1 2542/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 HRH4 1449/4885SMAD3 3146/4885CYP19A1 1688/4885
US-20030195365-A1 CC-1065 analog synthesis DCUN1D5, DCUN1D1, DBN1 HRH4 1594/4885SMAD3 4126/4885CYP19A1 3586/4885

“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.