SCHEMBL6835113

SCHEMBL6835113

CCOC=C(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 8/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 1/20 0.43
GLO1 Q04760 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
FAAH O00519 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10717796 1.00 CYP1A2 (0.50) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL6835112 1.00 CYP1A2 (0.50) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL1294629 0.85 CYP1A2 (0.50) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL1294626 0.85 CYP1A2 (0.50) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL1294624 0.85 CYP1A2 (0.50) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL7477379 0.85 SMN1; SMN2 (0.44) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL7477373 0.85 SMN1; SMN2 (0.44) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL17674145 0.82 CYP1A2 (0.54) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL17674143 0.82 CYP1A2 (0.54) CYP1A2CYP2C19ALDH1A1LMNAHPGD
SCHEMBL14706091 0.82 CYP1A2 (0.54) CYP1A2CYP2C19ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948011-A A kind of preparation method of the sandy star in pula 华南农业大学 2018-12-07 CN claimed
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
CN-108948011-A A kind of preparation method of the sandy star in pula 华南农业大学 2018-12-07 CN disclosed
US-20040014984-A1 Process for the preparation of derivatives of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2004-01-22 US disclosed
US-6632950-B2 By reducing the corresponding 4-nitro derivative; useful as monomers for polyamides capable of binding dsDNA (double stranded DNA) and hence in nucleotide sequence recognition PHARMACIA CORPORATION 2003-10-14 US disclosed
EP-0400799-B1 Phenylpyrimidone derivatives SMITH KLINE FRENCH LAB (GB) 1994-01-12 EP disclosed
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP disclosed
EP-0400799-A1 Phenylpyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-12-05 EP disclosed
EP-0134096-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 EP disclosed
US-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP disclosed
US-RE31926-E Penicillins and salts thereof BOEHRINGER INGELHEIM GMBH (DE) 1985-06-25 US disclosed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 EP disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed
US-4241056-A ANTIBIOTICS BOEHRINGER INGELHEIM GMBH (DE) 1980-12-23 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 (3 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA CYP1A2 206/4885CYP2C19 1283/4885ALDH1A1 296/4885
US-20040014984-A1 Process for the preparation of derivatives of 4-amino-3-hydroxypyrrole-2-carboxylic acid POLL, LIG4, HPD CYP1A2 1741/4885CYP2C19 1424/4885ALDH1A1 3015/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA CYP1A2 163/4885CYP2C19 1110/4885ALDH1A1 421/4885

“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.