SCHEMBL460048

SCHEMBL460048

CCOC(=O)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.64
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
CA7 P43166 3/20 0.64
CA9 Q16790 3/20 0.64
CA14 Q9ULX7 3/20 0.64
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 3/20 0.60
PKM P14618 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
LMNA P02545 1/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
PTGER4 P35408 1/20 0.56
MEN1 O00255 1/20 0.56
HSD17B2 P37059 1/20 0.54

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
SCHEMBL2965278 0.88 KMT2A (0.65) CA12CA1CA2CA7CA9
SCHEMBL3559893 0.86 TSHR (0.64) CA12CA1CA2CA7CA9
SCHEMBL9080647 0.85 GPR35 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16445513 0.84 KMT2A (0.64) CA12CA1CA2CA7CA9
SCHEMBL13497805 0.84 KMT2A (0.61) CA12CA1CA2CA7CA9
SCHEMBL6170431 0.84 KMT2A (0.60) CA12CA1CA2CA7CA9
SCHEMBL16464384 0.84 KMT2A (0.60) CA12CA1CA2CA7CA9
SCHEMBL692577 0.84 KMT2A (0.60) CA12CA1CA2CA7CA9
SCHEMBL1981486 0.83 KMT2A (0.67) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL223930 0.83 XDH (0.61) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
CN-111247129-A Piperazine derivatives as MAGL inhibitors 豪夫迈·罗氏有限公司 2020-06-05 CN disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
US-10085957-B2 Benzoic acid compounds for reducing uric acid WELLSTAT THERAPEUTICS CORPORATION (US) 2018-10-02 US disclosed
CN-106810463-A Preparation method of oxybuprocaine hydrochloride 沈阳绿洲制药有限责任公司 2017-06-09 CN disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed
US-4789675-A HYPOTENSIVE, ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-12-06 US disclosed
EP-0233728-A1 1,4-Benzoxazine derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-26 EP disclosed
US-4307092-A 1-Oxo-5H-pyrimido[2,1-C]benzoxazine-2-carboxylic acid esters AYERST MCKENNA & HARRISON, INC. (CA) 1981-12-22 US disclosed
US-4254118-A 1-Oxo-5H-pyrimido[2,1-c][1,4]benzthiazine-2-carboxylic acid esters AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 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-10085957-B2 Benzoic acid compounds for reducing uric acid FPR1, FFAR1, GLS CA12 3091/4885CA1 591/4885CA2 369/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG CA12 4418/4885CA1 3979/4885CA2 1231/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG CA12 4418/4885CA1 3979/4885CA2 1231/4885

“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.