SCHEMBL787478

SCHEMBL787478

C=Cc1cc(C(=O)OC)nc(-c2ccc(-c3ccc(F)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
PLA2G2A P14555 1/20 0.43
SCN9A Q15858 7/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL364073 0.93 SCN9A (0.50) PLA2G2ASCN9AFPR2
SCHEMBL15383821 0.86 PLA2G2A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL787223 0.84 MCL1 (0.49) ALDH1A1SCN9AKDM4E
SCHEMBL786999 0.83 SCN9A (0.60) ALDH1A1HPGDSCN9AKDM4E
SCHEMBL29421489 0.83 SCN9A (0.60) ALDH1A1HPGDSCN9AKDM4E
SCHEMBL792486 0.80 NPC1 (0.50) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL20886321 0.79 MAPK1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL25241472 0.79 NPC1 (0.51) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL30405699 0.79 NPC1 (0.51) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL21044494 0.77 MAPT (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590925-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2022-03-30 EP disclosed
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-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
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP 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 SMN1; SMN2 522/4885NPC1 1507/4885RAB9A 1595/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SMN1; SMN2 522/4885NPC1 1507/4885RAB9A 1595/4885

“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.