SCHEMBL10244098

SCHEMBL10244098

COC(=O)c1ccc(CN)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.49
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KAT2B Q92831 1/20 0.42

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
Hydrochloric Acid SCHEMBL5411433 0.99 LOXL2 (0.47) LOXL2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30434912 0.88 SIRT6 (0.52) LOXL2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL148602 0.88 SIRT6 (0.52) LOXL2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL13634220 0.88 ALDH1A1 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
Hydrochloric Acid SCHEMBL8650383 0.87 SIRT6 (0.51) LOXL2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL590781 0.87 TTR (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4627839 0.86 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2277745 0.85 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2771843 0.85 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2770959 0.85 HPGD (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524386-B The preparation method of 2-amino-4-Methanesulfomide methyl toluate JIANGSU DINGLONG TECHNOLOGY CO., LTD. (CN) 2016-05-18 CN disclosed
US-20150094474-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2015-04-02 US disclosed
US-20150094474-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2015-04-02 US disclosed
CN-103524386-A Method for preparing 2-amino-4-methanesulfonamide methylbenzoate BINHAI BAIYUN CHEMICAL CO LTD 2014-01-22 CN disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2013136073-A1 AGRICULTURAL CHEMICALS REDX PHARMA LIMITED (GB) 2013-09-19 WO disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO 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-20150094474-A1 AGRICULTURAL CHEMICALS DDT, SQOR, GPX4 LOXL2 1156/4885PDGFRB 4832/4885FGFR1 3487/4885
US-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 LOXL2 4624/4885PDGFRB 2993/4885FGFR1 1455/4885

“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.