SCHEMBL14965170

SCHEMBL14965170

Nc1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
PDE7A Q13946 2/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SCN9A Q15858 6/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL21104547 0.85 ALDH1A1 (0.52) MAOAMAOBPDE7AMAPTCYP1A2
SCHEMBL14965305 0.82 CYP1A2 (0.47) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10559362 0.82 SCN9A (0.50) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15360092 0.82 SLC6A4 (0.55) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4374841 0.81 HSPB1 (0.58) MAOAMAOBMAPTALDH1A1KDM4E
SCHEMBL554810 0.81 MAOA (0.61) MAOAMAOBPDE7AMAPTCYP1A2
SCHEMBL765629 0.81 ST14 (0.50) MAOBMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6826221 0.79 F2 (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL755813 0.79 ADRB2 (0.50) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20565912 0.79 MAOA (0.57) MAOAMAOBPDE7AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO 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-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 MAOA 1371/4885MAOB 522/4885PDE7A 744/4885
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, P2RX3, CACNA1A MAOA 1371/4885MAOB 522/4885PDE7A 744/4885

“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.