SCHEMBL2824834

SCHEMBL2824834

O=C1c2ccccc2C(=O)N1O.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.60
FEN1 P39748 2/20 0.60
ERCC4 Q92889 2/20 0.60
RNASEH1 O60930 1/20 0.54
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CASP3 P42574 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL1410 0.97 ERCC1 (0.62) ERCC1FEN1ERCC4RNASEH1POLB
SCHEMBL29361703 0.97 ERCC1 (0.62) ERCC1FEN1ERCC4RNASEH1POLB
SCHEMBL710689 0.97 ERCC1 (0.62) ERCC1FEN1ERCC4RNASEH1POLB
SCHEMBL30479617 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB
Ammonia Solution, Strong SCHEMBL8656352 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB
Lithium SCHEMBL1279496 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB
SCHEMBL1279494 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB
Methane SCHEMBL28815225 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB
SCHEMBL30440680 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB
Water SCHEMBL4444794 0.94 ERCC1 (0.60) ERCC1FEN1ERCC4RNASEH1POLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886775-A Preparation method of nitrate ion carrier VI 深圳市茵诺圣生物科技有限公司 2024-04-16 CN disclosed
CN-101056893-B N-substituted imides as polymerization initiators CIBA SC HOLDING AG 2011-06-08 CN disclosed
CN-102015589-A Process for producing cyclohexylbenzene EXXONMOBIL CHEM PATENTS INC 2011-04-13 CN disclosed
EP-1828258-B1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS BASF SE (DE) 2010-06-30 EP disclosed
US-7723399-B2 N-substituted imides as polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080132600-A1 N-Substituted Imides As Polymerization Initiators CIBA SPECIALTY CHEMICALS CORP. 2008-06-05 US disclosed
CN-101056893-A N-substituted imides as polymerization initiators CIBA SC HOLDING AG (CH) 2007-10-17 CN disclosed
EP-1828258-A1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS Ciba Specialty Chemicals Holding Inc. (CH) 2007-09-05 EP disclosed
WO-2006051047-A1 N-SUBSTITUTED IMIDES AS POLYMERIZATION INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-05-18 WO disclosed
US-5246956-A N-IMIDAZOLYL DERIVATIVES OF SUBSTITUTED ALKOXYIMINO TETRAHYDRONAPHTHALENES AND CHROMANS HAVING ANTITHROMBOXANE A2 ACTIVITY FARMITALIA CARLO ERBA S.R.L. (IT) 1993-09-21 US disclosed
EP-0499444-A1 N-imidazolyl derivatives of substituted alkoxyimino tetrahydronaphthalenes and chromans PHARMACIA S.p.A. (IT) 1992-08-19 EP disclosed
US-4271157-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1981-06-02 US disclosed
US-4252802-A ANTIBIOTICS, BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1981-02-24 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 (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-20080132600-A1 N-Substituted Imides As Polymerization Initiators NR1H3, SIGMAR1, NR1H2 ERCC1 3363/4885FEN1 4103/4885ERCC4 3993/4885

“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.