SCHEMBL16023929

SCHEMBL16023929

O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 5/20 0.55
HSPB1 P04792 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
PTPN1 P18031 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MGLL Q99685 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TLR9 Q9NR96 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
FAAH O00519 1/20 0.47

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
SCHEMBL22069567 0.82 HSPB1 (0.56) ALDH1A1MAPK1MAPTHSPB1RAB9A
SCHEMBL22041609 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTHSPB1RAB9A
SCHEMBL28448178 0.81 MAPT (0.46) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL141303 0.81 MAPT (0.59) ALDH1A1MAPTRAB9ANPC1PTPN1
SCHEMBL30448936 0.81 MAPT (0.59) ALDH1A1MAPTRAB9ANPC1PTPN1
SCHEMBL6165864 0.81 ALDH1A1 (0.78) ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2
Formaldehyde SCHEMBL27922643 0.78 MAPT (0.56) ALDH1A1MAPTRAB9ANPC1PTPN1
SCHEMBL31692809 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL11689190 0.77 HSPB1 (0.79) ALDH1A1MAPK1MAPTHSPB1RAB9A
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.77 HSPB1 (0.79) ALDH1A1MAPK1MAPTHSPB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 EP disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
EP-2753606-B1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2017-07-05 EP disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-20160024022-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2016-01-28 US disclosed
US-20160024022-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2016-01-28 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
US-9163008-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-10-20 US disclosed
US-9163008-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-10-20 US disclosed
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2014-10-09 US disclosed
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2014-10-09 US disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 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 (8 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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 ALDH1A1 1063/4885MAPK1 3702/4885MAPT 3859/4885
US-20160024022-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885MAPT 3818/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885MAPT 3818/4885
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885MAPT 3818/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 ALDH1A1 1063/4885MAPK1 3702/4885MAPT 3859/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 ALDH1A1 989/4885MAPK1 3612/4885MAPT 3982/4885
US-10774050-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885MAPT 3818/4885
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX1, P2RX4, P2RX2 ALDH1A1 531/4885MAPK1 3251/4885MAPT 3393/4885

“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.