SCHEMBL2685223

SCHEMBL2685223

COc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.41
PTGS2 P35354 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGS1 P23219 1/20 0.39
CYP3A4 P08684 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP19A1 P11511 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL8089743 0.82 APP (0.44) HTTTDP1LMNAPTGS2ACHE
SCHEMBL3462083 0.81 HTT (0.33) HTTTDP1
SCHEMBL6599832 0.81 PTGS2 (0.43) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL4527774 0.81 CYP19A1 (0.43) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL16974738 0.77 TSHR (0.38) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL6601885 0.77 HTT (0.40) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL5177532 0.76 TSHR (0.46) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL6826584 0.76 ALDH1A1 (0.36) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL455697 0.75 ALDH1A1 (0.50) HTTTDP1TSHRLMNAALDH1A1
SCHEMBL1473759 0.75 ALDH1A1 (0.47) HTTTDP1TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496296-A Dolutegravir derivative with anti-tumor function and preparation method thereof 河南师范大学 2023-07-28 CN claimed
CN-115611872-A Multi-structure-position modified andrographolide derivative and application thereof 南京工业大学 2023-01-17 CN claimed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US claimed
EP-1855696-B1 9A-CARBAMOYL-Y-AMINOPROPYL- AND 9A-THIOCARBAMOYL-Y-AMINOPROPYL-AZALIDES WITH ANTIMALARIAL ACTIVITY GLAXOSMITHKLINE ZAGREB (HR) 2010-04-28 EP claimed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
EP-2066657-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-06-10 EP claimed
US-7465814-B2 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2008-12-16 US claimed
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2008-08-21 US claimed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO claimed
JP-2002500641-A 2002-01-08 JP claimed
EP-1120420-A2 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 2001-08-01 EP claimed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO claimed
US-6110696-A KIT FOR THE DETECTION OF A COMPOUND IN A FLUID ROCHE DIAGNOSTICS CORPORATION (US) 2000-08-29 US claimed
EP-0998451-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-10 EP claimed
EP-0911337-A1 New triphendioxazine compounds Clariant Finance (BVI) Limited (VG) 1999-04-28 EP claimed
WO-1998050344-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-11-12 WO claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 US claimed
US-4073781-A Method of production of azo dyes from a quinone containing compound and a diazonium compound FUJI PHOTO FILM CO., LTD. (JA) 1978-02-14 US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B HTT 1329/4885TDP1 3572/4885TSHR 72/4885
US-20080200404-A1 Novel Antimalarial 9A-Carbamoyl-Aminoalkyl and 9A-Thiocarbamoyl-Aminoalkyl Azalides DCTD, DHODH, DHRS9 HTT 1154/4885TDP1 3470/4885TSHR 2324/4885

“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.