SCHEMBL1818933

SCHEMBL1818933

O=C(O)c1cc([N+](=O)[O-])cnc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 5/20 0.47
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL27806946 0.82 MAPT (0.49) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL8323099 0.81 MAPT (0.47) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL801247 0.81 MAPT (0.47) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL30036327 0.81 MAPT (0.47) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL28151421 0.81 MAPT (0.47) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL9100948 0.81 MAPT (0.47) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL914516 0.81 ALDH1A1 (0.51) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL1922271 0.81 MAPT (0.51) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL18530721 0.81 MAPT (0.47) MAPTTDP1CTSVCTSLALDH1A1
SCHEMBL4132236 0.80 OPRK1 (0.51) MAPTTDP1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
US-10954231-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2021-03-23 US disclosed
US-10954231-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2021-03-23 US disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
WO-2019109150-A1 METHODS OF TREATING AGITATION BIONOMICS LIMITED (AU) 2019-06-13 WO disclosed
US-10233181-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2019-03-19 US disclosed
US-10233181-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2019-03-19 US disclosed
CN-108929263-A Aryl amide Kv2.1 inhibitor and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-12-04 CN disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 US disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
US-5550122-A INHIBIT REVERSE TRANSCRIPTASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP disclosed
EP-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 US disclosed
EP-0415303-A2 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP 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-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 MAPT 1130/4885TDP1 1703/4885CTSV 4138/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 MAPT 929/4885TDP1 1783/4885CTSV 4188/4885

“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.