SCHEMBL4555909

SCHEMBL4555909

O=Cc1sccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
PDE7A Q13946 1/20 0.42
ERN1 O75460 4/20 0.39
XDH P47989 1/20 0.39
VCAM1 P19320 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
GPR35 Q9HC97 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKDC P78527 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27799509 0.82 PDE7A (0.38) ALDH5A1ABATPDE7ATDP1GPR35
SCHEMBL11660719 0.81 PDE7A (0.39) ALDH5A1ABATPDE7AERN1XDH
SCHEMBL11494859 0.77 PDE7A (0.36) ALDH5A1ABATPDE7ATDP1GPR35
SCHEMBL2460904 0.77 ALDH1A1 (0.47) ERN1TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4727465 0.74 NFE2L2 (0.47) PDE7ATDP1MAPK1SMN1; SMN2MAPT
SCHEMBL9399032 0.73 GPR35 (0.50) PDE7ATDP1GPR35ALDH1A1HPGD
SCHEMBL11826120 0.73 PDE7A (0.43) PDE7ATDP1GPR35ALDH1A1TSHR
SCHEMBL872076 0.71 PDE7A (0.46) PDE7ATDP1GPR35ALDH1A1HPGD
SCHEMBL27329527 0.71 PDE7A (0.36) ALDH5A1ABATPDE7AERN1VCAM1
SCHEMBL5841002 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736195-A Nitrofuran hydrazone naphthalimide compound, and preparation method and application thereof 西南大学 2024-03-22 CN disclosed
CN-103333170-B Benzimidazoles compound and application thereof 清华大学 2016-08-10 CN disclosed
CN-103333170-A Benzimidazole compound and use thereof UNIV TSINGHUA 2013-10-02 CN disclosed
WO-2013033310-A1 MODULATORS OF REV-ERB KAMENECKA THEODORE MARK (US) 2013-03-07 WO disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
CN-100526310-C Cyclopropyl-thienyl-carboxamides useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2009-08-12 CN disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed
US-7312179-B2 Cyclopropyl-thienyl-carboxamide as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2007-12-25 US disclosed
EP-1556377-B1 CYCLOPROPYL-THIENYL-CARBOXAMIDE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-28 EP disclosed
US-20060030567-A1 Cyclopropyl-thienyl-carboxamide as fungicides SYNGENTA CROP PROTECTION, INC. 2006-02-09 US disclosed
EP-0686141-B1 NEW PROCESS FOR THE NITRATION OF AROMATIC COMPOUNDS IN MILD, NON-CORROSIVE CONDITIONS INST NACIONAL DE ENGENHARIA E (PT) 1998-12-09 EP disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0686141-A1 NEW PROCESS FOR THE NITRATION OF AROMATIC COMPOUNDS IN MILD, NON-CORROSIVE CONDITIONS INSTITUTO NACIONAL DE ENGENHARIA E TECNOLOGIA INDUSTRIAL (PT) 1995-12-13 EP disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
WO-1994019310-A1 NEW PROCESS FOR THE NITRATION OF AROMATIC COMPOUNDS IN MILD, NON-CORROSIVE CONDITIONS INSTITUTO NACIONAL DE ENGENHARIA E TECNOLOGIA INDUSTRIAL (PT) 1994-09-01 WO disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 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 (1 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-20060030567-A1 Cyclopropyl-thienyl-carboxamide as fungicides CBR3, CBR1, CYP8B1 ALDH5A1 2513/4885ABAT 1836/4885PDE7A 3699/4885

“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.