SCHEMBL2020498

SCHEMBL2020498

O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.73
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
TTR P02766 1/20 0.60
ALB P02768 1/20 0.60
THRB P10828 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 4/20 0.57
HPSE Q9Y251 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
PDE7B Q9NP56 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
SCHEMBL31090820 1.00 PDE7A (0.73) PDE7AMEN1KMT2ATTRALB
SCHEMBL29780387 0.90 PDE7A (0.82) PDE7AMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL5863266 0.90 PDE7A (0.82) PDE7AMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL9174802 0.87 MEN1 (0.60) PDE7AMEN1KMT2ATTRALB
SCHEMBL10387432 0.86 PDE7A (0.71) PDE7AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11475236 0.86 PDE7A (0.76) PDE7AMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL10824979 0.85 PDE7A (0.66) PDE7AMEN1KMT2ATTRALB
SCHEMBL2961786 0.84 PDE7A (0.74) PDE7AMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL810516 0.84 PDE7A (0.74) PDE7AMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2016906 0.84 PDE7A (0.68) PDE7AMEN1KMT2ATTRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 CN disclosed
CN-115124463-B Substituted quinoline compound and preparation method and application thereof 浙江工业大学 2023-11-28 CN disclosed
CN-115124463-A Substituted quinoline compound and preparation method and application thereof 浙江工业大学 2022-09-30 CN disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
US-5382686-A Process for preparing nitrodiphenyl (thio) ethers BAYER AKTIENGESELLSCHAFT (DE) 1995-01-17 US disclosed
US-5324722-A Analgesics G. D. SEARLE & CO. (US) 1994-06-28 US disclosed
WO-1993013082-A1 SUBSTITUTED DIBENZOXAZEPINES OR DIBENZOTHIAZEPINES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS G.D. SEARLE & CO. (US) 1993-07-08 WO disclosed
EP-0304725-B1 PROCESS FOR THE PREPARATION OF NITRO-DIPHENYL(THIO) ETHERS BAYER AG (DE) 1992-01-22 EP disclosed
EP-0304725-A1 Process for the preparation of nitro-diphenyl(thio) ethers BAYER AG (DE) 1989-03-01 EP disclosed
US-4478852-A FUNGICIDES CELAMERCK GMBH & CO. KG. (DE) 1984-10-23 US disclosed
US-4059627-A HYDROGENATION OF CHLORINATED NITRO AROMATIC, NOBLE METAL CATALYST, THIOETHER BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885MEN1 4571/4885KMT2A 3566/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885MEN1 4571/4885KMT2A 3566/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885MEN1 4571/4885KMT2A 3566/4885

“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.