SCHEMBL7294658

SCHEMBL7294658

Nc1ccc(Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
MAPK1 P28482 1/20 1.00
CYP19A1 P11511 1/20 0.54
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MITF O75030 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
NLRP1 Q9C000 1/20 0.52
NOD2 Q9HC29 1/20 0.52
MAOB P27338 5/20 0.47
MAOA P21397 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL6165864 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1CYP3A4TDP1SMN1; SMN2
SCHEMBL18415547 0.83 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRSMN1; SMN2MAPT
SCHEMBL257873 0.81 ALDH1A1 (0.69) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL19032000 0.81 ALDH1A1 (0.69) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL14743537 0.81 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4SMN1; SMN2MEN1
SCHEMBL15458939 0.81 ALDH1A1 (0.68) ALDH1A1MAPK1CYP3A4SMN1; SMN2MEN1
SCHEMBL921629 0.81 ALDH1A1 (0.68) ALDH1A1MAPK1MAOBMAOANPC1
SCHEMBL921951 0.80 ALDH1A1 (0.67) ALDH1A1MAPK1CYP3A4SMN1; SMN2MEN1
SCHEMBL7285919 0.80 ALDH1A1 (0.66) ALDH1A1MAPK1CYP19A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL6158469 0.80 ALDH1A1 (0.66) ALDH1A1MAPK1MAOBMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
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-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
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
US-10059675-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-08-28 US disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP 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
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
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 WO disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed
EP-0353032-B1 1,5-BENZOTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Sankyo Company Limited (JP) 1992-02-26 EP disclosed
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 US disclosed
EP-0353032-A1 1,5-benzothiazepine derivatives, their preparation and their use in the treatment of cardiovascular disorders Sankyo Company Limited (JP) 1990-01-31 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 (5 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 3702/4885CYP19A1 4357/4885
US-10059675-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885CYP19A1 3496/4885
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885CYP19A1 3496/4885
US-10774050-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885CYP19A1 3496/4885
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX1, P2RX4, P2RX2 ALDH1A1 531/4885MAPK1 3251/4885CYP19A1 3100/4885

“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.