SCHEMBL2967458

SCHEMBL2967458

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.78
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
GAA P10253 1/20 0.65
PKM P14618 1/20 0.65
ALDH1A1 P00352 7/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 1/20 0.60
HSPB1 P04792 2/20 0.54
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
TBXA2R P21731 1/20 0.52
GPR55 Q9Y2T6 1/20 0.50

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
Nitrofen SCHEMBL38981 0.90 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL29364713 0.90 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL1702412 0.90 PDE7A (0.68) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11198374 0.89 PDE7A (0.76) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL28057303 0.89 PDE7A (0.67) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11760667 0.88 PDE7A (1.00) PDE7AMEN1KMT2AGAAPKM
Nitrofen SCHEMBL10584175 0.88 PDE7A (0.65) PDE7AMEN1KMT2AGAAPKM
SCHEMBL22069562 0.88 PDE7A (0.74) PDE7AMEN1KMT2AGAAPKM
SCHEMBL9367473 0.88 PDE7A (0.74) PDE7AMEN1KMT2AGAAPKM
SCHEMBL4029870 0.87 PDE7A (0.73) PDE7AMEN1KMT2AGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461582-A A preparing method of rafoxanide ZHEJIANG ESIGMA BIOTECHNOLOGY CO LTD 2016-04-06 CN claimed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
CN-105461582-A A preparing method of rafoxanide ZHEJIANG ESIGMA BIOTECHNOLOGY CO LTD 2016-04-06 CN disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 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-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
EP-0304725-B1 PROCESS FOR THE PREPARATION OF NITRO-DIPHENYL(THIO) ETHERS BAYER AG (DE) 1992-01-22 EP disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed
EP-0304725-A1 Process for the preparation of nitro-diphenyl(thio) ethers BAYER AG (DE) 1989-03-01 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-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.