SCHEMBL2748596

SCHEMBL2748596

Nc1ccc(OCc2ccccc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.52
SLC6A4 P31645 1/20 0.51
IDO1 P14902 2/20 0.50
MAOB P27338 4/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAOA P21397 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
PTPN1 P18031 1/20 0.41
SYK P43405 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
SCHEMBL14855083 0.82 IDO1 (0.50) MRGPRX4SLC6A4IDO1MAOBFFAR1
SCHEMBL3319862 0.81 MAPT (0.60) MRGPRX4IDO1MAOBNPC1MAPT
SCHEMBL27911213 0.80 CA1 (0.50) MRGPRX4IDO1NPC1MAPTRAB9A
SCHEMBL12173112 0.78 MRGPRX4 (0.45) MRGPRX4FFAR1FFAR4NPC1MAPT
SCHEMBL8807329 0.78 IDO1 (0.46) MRGPRX4SLC6A4IDO1FFAR4NPC1
SCHEMBL7886546 0.77 IDO1 (0.50) MRGPRX4IDO1NPC1MAPTRAB9A
SCHEMBL27094577 0.76 SLC6A4 (0.49) MRGPRX4SLC6A4IDO1MAOBFFAR1
SCHEMBL17075891 0.76 MRGPRX4 (0.51) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL17075858 0.76 MRGPRX4 (0.56) MRGPRX4SLC6A4IDO1
SCHEMBL30780916 0.76 MAPT (0.52) MRGPRX4MAPTATM

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
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 US disclosed
US-20080269238-A1 Thiazolopyrimidine Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 EP disclosed
EP-1731523-A1 THIAZOLOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 MRGPRX4 1228/4885SLC6A4 1959/4885IDO1 1135/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 MRGPRX4 1228/4885SLC6A4 1959/4885IDO1 1135/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 MRGPRX4 1228/4885SLC6A4 1959/4885IDO1 1135/4885
US-20080269238-A1 Thiazolopyrimidine Derivative FGFR3, FGFR1, ERBB3 MRGPRX4 1085/4885SLC6A4 1347/4885IDO1 952/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 MRGPRX4 1228/4885SLC6A4 1959/4885IDO1 1135/4885

“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.