SCHEMBL4373563

SCHEMBL4373563

O=Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TDP1 Q9NUW8 1/20 0.67
DRD1 P21728 3/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
VCAM1 P19320 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH3A1 P30838 1/20 0.43
ADAMTS4 O75173 1/20 0.43
PTPN1 P18031 1/20 0.42
S100A4 P26447 2/20 0.42
PTPRC P08575 1/20 0.42
ERN1 O75460 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
SOS1 Q07889 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
SCHEMBL8620067 0.84 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4PTPN1S100A4
SCHEMBL2958562 0.81 ALDH1A1 (0.92) ALDH1A1TDP1ADAMTS4PTPN1S100A4
SCHEMBL5203555 0.81 L3MBTL1 (0.58) ALDH1A1TDP1MAPTHPGDHTT
SCHEMBL31452858 0.81 ALDH5A1 (0.57) ALDH1A1TDP1ALDH5A1ABATVCAM1
Benzene SCHEMBL28038982 0.81 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4PTPN1S100A4
SCHEMBL30196067 0.81 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4PTPN1S100A4
SCHEMBL44392 0.81 ALDH1A1 (1.00) ALDH1A1TDP1ADAMTS4PTPN1S100A4
Formic Acid SCHEMBL27533434 0.80 ALDH1A1 (0.81) ALDH1A1TDP1ADAMTS4PTPN1S100A4
SCHEMBL3360018 0.80 ALDH1A1 (0.47) ALDH1A1TDP1DRD1ALDH5A1ABAT
SCHEMBL7821087 0.79 ALDH1A1 (0.74) ALDH1A1TDP1ADAMTS4PTPN1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1575922-B1 BIPHENYL DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-14 EP disclosed
US-7241721-B2 carboxamide derivatives as active ingredients which have microbiocidal activity, in particular fungicidal activity SYNGENTA CROP PROTECTION, INC. (US) 2007-07-10 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-5672596-A ANIMAL GROWTH CONTROLLERS MERCK & CO., INC. (US) 1997-09-30 US disclosed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
US-5430144-A E.g, N-(1-((2'-((methoxycarbonyl)amino)(1,1'-biphenyl)-4-yl) methyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-3 ((fur-2-yl)methyl)amino-3-methylbutanamide MERCK & CO., INC. (US) 1995-07-04 US disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed
WO-1995016675-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed
US-5283241-A Animal growth regulators MERCK & CO., INC. (US) 1994-02-01 US disclosed
US-3987037-A RADIATION-SENSITIVE FREE RADICAL GENERATORS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-10-19 US disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed
US-3954475-A Photosensitive elements containing chromophore-substituted vinyl-halomethyl-s-triazines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-05-04 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 ALDH1A1 2211/4885TDP1 1306/4885DRD1 201/4885

“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.