SCHEMBL8490992

SCHEMBL8490992

CCOC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
PKM P14618 1/20 0.62
MAPT P10636 6/20 0.61
MAPK1 P28482 2/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 3/20 0.61
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.58
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL4420346 0.88 SMN1; SMN2 (0.64) TDP1SMN1; SMN2PKMMAPTMAPK1
SCHEMBL7723906 0.86 SMN1; SMN2 (0.68) TDP1SMN1; SMN2MAPTALDH1A1ADRB2
SCHEMBL2984468 0.86 TDP1 (0.64) TDP1SMN1; SMN2PKMMAPTMAPK1
SCHEMBL426382 0.85 SMN1; SMN2 (0.67) TDP1SMN1; SMN2MAPTMAPK1POLB
SCHEMBL31534624 0.84 TDP1 (0.72) TDP1SMN1; SMN2PKMMAPTMAPK1
SCHEMBL6750268 0.84 SMN1; SMN2 (0.65) TDP1SMN1; SMN2MAPTMAPK1POLB
SCHEMBL5925545 0.84 SMN1; SMN2 (0.65) TDP1SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL11278115 0.83 TDP1 (0.57) TDP1SMN1; SMN2PKMMAPTMAPK1
SCHEMBL3506460 0.83 SMN1; SMN2 (0.61) TDP1SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL222270 0.83 TDP1 (0.67) TDP1SMN1; SMN2PKMMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177284-A1 TETRAZOLYL-CONTAINING CYCLOPROPANECARBOXAMIDES Bayer Pharma AG (DE) 2019-06-13 US disclosed
US-20190177284-A1 TETRAZOLYL-CONTAINING CYCLOPROPANECARBOXAMIDES Bayer Pharma AG (DE) 2019-06-13 US disclosed
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
US-4356295-A COORDINATION CATALYSTS MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1982-10-26 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 (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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 TDP1 2015/4885SMN1; SMN2 2884/4885PKM 3568/4885
US-20190177284-A1 TETRAZOLYL-CONTAINING CYCLOPROPANECARBOXAMIDES GAP43, PSEN1, PSEN2 TDP1 1620/4885SMN1; SMN2 69/4885PKM 2620/4885

“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.