SCHEMBL14965155

SCHEMBL14965155

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.73
PDE7A Q13946 2/20 0.54
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
SCN9A Q15858 1/20 0.45
S1PR4 O95977 1/20 0.45
ATM Q13315 1/20 0.45
TBXA2R P21731 1/20 0.45
HIF1A Q16665 1/20 0.44

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
SCHEMBL22069708 0.91 HSPB1 (0.68) HSPB1PDE7AMAPTMEN1KMT2A
SCHEMBL27859313 0.87 HSPB1 (0.82) HSPB1PDE7AMAPTMEN1KMT2A
SCHEMBL4373270 0.84 HSPB1 (1.00) HSPB1PDE7AMAPTMEN1KMT2A
Nitrofen SCHEMBL1702412 0.84 PDE7A (0.68) HSPB1PDE7AMAPTMEN1KMT2A
Nitrofen SCHEMBL38981 0.84 PDE7A (0.68) HSPB1PDE7AMAPTMEN1KMT2A
Nitrofen SCHEMBL29364713 0.84 PDE7A (0.68) HSPB1PDE7AMAPTMEN1KMT2A
SCHEMBL28317228 0.84 ALDH1A1 (0.53) HSPB1PDE7AMAPTMEN1KMT2A
SCHEMBL11475236 0.83 PDE7A (0.76) HSPB1PDE7AMAPTMEN1KMT2A
Nitrofen SCHEMBL28057303 0.83 PDE7A (0.67) HSPB1PDE7AMAPTMEN1KMT2A
SCHEMBL10564929 0.82 HSPB1 (0.73) HSPB1PDE7AMAPTMEN1KMT2A

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
US-9539253-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-01-10 US disclosed
US-9539253-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-01-10 US disclosed
US-9539253-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-01-10 US disclosed
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-11-26 US disclosed
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-11-26 US disclosed
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-11-26 US disclosed
US-9133131-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-09-15 US disclosed
US-9133131-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-09-15 US disclosed
US-9133131-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-09-15 US disclosed
US-20140315783-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-23 US disclosed
US-20140315783-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-23 US disclosed
US-20140315783-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-23 US disclosed
WO-2013072758-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-23 WO disclosed
WO-2013072758-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-23 WO 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-20140315783-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, P2RX3, CACNA1A HSPB1 2170/4885PDE7A 744/4885MAPT 3998/4885
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, P2RX3, CACNA1A HSPB1 2170/4885PDE7A 744/4885MAPT 3998/4885

“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.