SCHEMBL635693

SCHEMBL635693

Cc1cc2c(cc1C)C(=O)C([N+](=O)[O-])C2=O.[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 known ✓ P12268 1/20 0.32
IMPDH1 known ✓ P20839 1/20 0.32
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 4/20 0.37
MAPT P10636 2/20 0.37
CCR6 P51684 2/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP1 Q9C000 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL1813861 0.98 ALDH1A1 (0.49) ALDH1A1TDP1MAPTCCR6HSP90AA1
SCHEMBL3192408 0.71 ALDH1A1 (0.51) ALDH1A1TDP1MAPTHTTMEN1
SCHEMBL25752523 0.67 IMPDH2 (0.37) TDP1HTTIMPDH2IMPDH1
SCHEMBL11554386 0.64 CYP1A2 (0.52) ALDH1A1TDP1MAPTCCR6HSP90AA1
SCHEMBL31268406 0.62
SCHEMBL3197749 0.61 PIM1 (0.48) MAPTHTTMEN1KMT2AIMPDH2
SCHEMBL30002616 0.61 MAOA (0.56) ALDH1A1TDP1MAPTHSP90AA1HTT
SCHEMBL9726871 0.61 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7048152 0.61
SCHEMBL5581456 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
EP-4706683-A2 CHEWABLE FORMULATIONS Elanco Tiergesundheit AG (CH) 2026-03-11 EP disclosed
US-20260034059-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES AQUESTIVE THERAPEUTICS, INC. (US) 2026-02-05 US disclosed
US-12465564-B2 Oral and nasal compositions and methods of treatment AQUESTIVE THERAPEUTICS, INC. (US) 2025-11-11 US disclosed
US-20250339367-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES AQUESTIVE THERAPEUTICS, INC. (US) 2025-11-06 US disclosed
US-12403090-B2 Oral film compositions and dosage forms having precise active dissolution profiles AQUESTIVE THERAPEUTICS, INC. (US) 2025-09-02 US disclosed
US-20250255780-A1 SYSTEM AND METHOD FOR MAKING PERSONALIZED INDIVIDUAL UNIT DOSES CONTAINING PHARMACEUTICAL ACTIVES AQUESTIVE THERAPEUTICS, INC. (US) 2025-08-14 US disclosed
US-12310922-B2 System and method for making personalized individual unit doses containing pharmaceutical actives AQUESTIVE THERAPEUTICS, INC. (US) 2025-05-27 US disclosed
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates LUITPOLD PHARMACEUTICALS, INC. 2001-05-31 US disclosed
WO-2001007009-A1 LYSINE OXIDASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
WO-2001006829-A2 LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
EP-1054998-A1 TRANSGLUTAMINASE LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2000-11-29 EP disclosed
WO-2000040604-A2 METHODS AND COMPOSITIONS FOR MODULATING CYTOKINE RELEASE BY αEβ7-EXPRESSING CELLS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2000-07-13 WO disclosed
WO-1999036570-A2 TRANSGLUTAMINASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE INC (US) 1999-07-22 WO disclosed
WO-1999030690-A1 ORAL DELIVERY FORMULATION AXIA THERAPEUTICS, INC. (US) 1999-06-24 WO disclosed
US-5795909-A ANTICARCINOGENIC AND ANTITUMOR AGENTS; BREAST, COLON, OVARIANCANCERS NEUROMEDICA, INC. (US) 1998-08-18 US 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 (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-20010002404-A1 Fatty acid-pharmaceutical agent conjugates FABP7, FFAR2, FFAR4 IMPDH2 2928/4885IMPDH1 3696/4885ALDH1A1 615/4885
US-20260034059-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES SORD, SLC6A13, CACNA1A IMPDH2 3680/4885IMPDH1 4016/4885ALDH1A1 683/4885

“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.