SCHEMBL645984

SCHEMBL645984

N#Cc1c(Cc2ccc(N)c(OCc3ccccc3)c2)cccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
APP P05067 1/20 0.42
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
AS3MT Q9HBK9 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
NSD2 O96028 1/20 0.40
VEGFA P15692 1/20 0.40
IKBKB O14920 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL646771 0.81 SGMS2 (0.44) NPC1RAB9AMRGPRX4HTR1AMAPT
SCHEMBL621853 0.79 NPC1 (0.51) NPC1RAB9AMRGPRX4APPAS3MT
SCHEMBL5741190 0.77 NPC1 (0.62) NPC1RAB9AMRGPRX4AS3MTHTR1A
SCHEMBL6431004 0.74 MAOB (0.58) RAB9AMRGPRX4APPMAPTL3MBTL1
SCHEMBL647192 0.74 SGMS2 (0.43) NPC1RAB9AHTR1AMAPT
SCHEMBL647879 0.74 MRGPRX4 (0.40) NPC1RAB9AMRGPRX4VEGFAMAPT
SCHEMBL647271 0.73 PTPN1 (0.44) NPC1RAB9AMRGPRX4VEGFAIKBKB
SCHEMBL27737975 0.72 MAOB (0.54) RAB9AMRGPRX4APPF9F10
SCHEMBL4452726 0.71 NPC1 (0.52) NPC1RAB9AMRGPRX4HTR1ADRD2
SCHEMBL4310692 0.71 APP (0.46) RAB9AAPPMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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 (1 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR NPC1 3005/4885RAB9A 3137/4885MRGPRX4 1398/4885

“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.