SCHEMBL3765898

SCHEMBL3765898

N#Cc1cccc(-c2csc(N3CCN(C(=O)O)CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 2/20 0.54
SPR P35270 1/20 0.53
FAAH O00519 3/20 0.52
MAPK1 P28482 5/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 3/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL18711347 0.90 SPR (0.54) RAB9ANPC1ALDH1A1HSD17B10SPR
SCHEMBL18702280 0.87 SPR (0.52) RAB9ANPC1ALDH1A1HSD17B10SPR
SCHEMBL3770534 0.85 FAAH (0.53) RAB9ANPC1ALDH1A1HSD17B10SPR
SCHEMBL3761593 0.83 RAB9A (0.74) RAB9ANPC1ALDH1A1HSD17B10FAAH
SCHEMBL3767790 0.83 RAB9A (0.67) RAB9ANPC1ALDH1A1HSD17B10SPR
SCHEMBL3770555 0.83 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10FAAH
SCHEMBL3766312 0.83 FAAH (0.62) RAB9ANPC1ALDH1A1HSD17B10SPR
SCHEMBL3768189 0.82 CTSL (0.52) RAB9ANPC1HSD17B10SPRMAPK1
SCHEMBL2559100 0.82 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3766412 0.81 MAPT (0.59) ALDH1A1HSD17B10SPRFAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 RAB9A 1416/4885NPC1 1078/4885ALDH1A1 353/4885

“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.