SCHEMBL954897

SCHEMBL954897

CCOC(=O)CC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CTSD P07339 1/20 0.53
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30736569 1.00 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2CTSDLMNA
SCHEMBL6985762 0.89 TSHR (0.57) ALDH1A1GAASMN1; SMN2LMNAGLA
SCHEMBL18304676 0.87 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2CTSDLMNA
SCHEMBL29444417 0.87 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2CTSDLMNA
SCHEMBL6870071 0.87 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2CTSDLMNA
SCHEMBL10540843 0.86 CTSD (0.57) ALDH1A1GAASMN1; SMN2CTSDNPSR1
SCHEMBL9806499 0.86 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2CTSDLMNA
SCHEMBL7463516 0.85 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2LMNAGLA
SCHEMBL13417556 0.83 MAPT (0.55) ALDH1A1GAASMN1; SMN2LMNARAB9A
SCHEMBL11459770 0.82 CTSD (0.68) ALDH1A1GAASMN1; SMN2CTSDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402459-A Method and device for synthesizing 4-hydroxyquinoline-3-formic acid 贵州中医药大学 2021-09-17 CN claimed
CN-113402459-A Method and device for synthesizing 4-hydroxyquinoline-3-formic acid 贵州中医药大学 2021-09-17 CN disclosed
CN-113402459-A Method and device for synthesizing 4-hydroxyquinoline-3-formic acid 贵州中医药大学 2021-09-17 CN disclosed
WO-2017037672-A1 PROCESSES FOR THE PREPARATION OF IVACAFTOR LAURUS LABS PRIVATE LIMITED (IN) 2017-03-09 WO disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8901116-B2 Method for treating pain, anxiety or depression using carbamoyloxy alkanoyl piperazine compound SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-12-02 US disclosed
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-03-27 US disclosed
US-8541409-B2 Carbamoyloxy arylalkanoyl arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-09-24 US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
EP-0786460-A2 2-Arylquinolines and process for producing the same ASAHI GLASS COMPANY LTD. (JP) 1997-07-30 EP disclosed
US-5281726-A 4-hydroxy-2'-nitrobutyrophenone and tetrahydro-2-(o-nitrophenyl)-2-furanol useful as intermediates in the preparation of a crop-selective herbicide AMERICAN CYANAMID COMPANY (US) 1994-01-25 US disclosed
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed
US-4312870-A TRANQUILIZERS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1982-01-26 US disclosed
US-4151291-A ANALGESICS UNICLER (FR) 1979-04-24 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-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 ALDH1A1 78/4885GAA 2568/4885SMN1; SMN2 2325/4885

“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.