SCHEMBL805964

SCHEMBL805964

O=Cc1cccc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.63
RAB9A P51151 1/20 0.53
LMNA P02545 6/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.50
XBP1 P17861 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LIPE Q05469 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46

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
SCHEMBL805972 0.80 SCN9A (0.55) SCN9A
SCHEMBL805865 0.80 SCN9A (0.61) SCN9ARAB9ALMNAMAPTNPSR1
SCHEMBL7945622 0.79 SMN1; SMN2 (0.62) RAB9ALMNAHPGDHTTSMN1; SMN2
SCHEMBL11360493 0.79 SMN1; SMN2 (0.71) RAB9ALMNAHPGDHTTSMN1; SMN2
SCHEMBL29421391 0.78 SCN9A (1.00) SCN9A
SCHEMBL787191 0.78 SCN9A (1.00) SCN9A
SCHEMBL10284267 0.76 SCN9A (0.67) SCN9ARAB9ALMNAHPGDHTT
SCHEMBL11196331 0.75 SMN1; SMN2 (0.67) RAB9ALMNAHPGDHTTSMN1; SMN2
SCHEMBL10440879 0.75 RAB9A (0.72) RAB9ALMNAHPGDHTTSMN1; SMN2
SCHEMBL11459158 0.75 SMN1; SMN2 (0.66) RAB9ALMNAHPGDHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN9A 148/4885RAB9A 1595/4885LMNA 1483/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN9A 148/4885RAB9A 1595/4885LMNA 1483/4885

“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.