SCHEMBL3766149

SCHEMBL3766149

c1csc(-c2nsc(N3CCNCC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.54
ADRB1 P08588 1/20 0.48
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
ALDH1A1 P00352 7/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HIF1A Q16665 3/20 0.41
CHEK1 O14757 1/20 0.40
KCNH2 Q12809 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 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
SCHEMBL3763289 0.79 FAAH (0.51) GBA1
SCHEMBL532234 0.78 FAAH (0.55)
SCHEMBL3772544 0.74 AR (0.41) FLT3CHEK1
SCHEMBL3759730 0.73 FAAH (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9HIF1A
SCHEMBL3766351 0.73 HTR7 (0.52) FLT3HDAC2ALDH1A1KDM4EMAPT
SCHEMBL2007027 0.73 FAAH (0.51) POLBMAPK1HTR3AMAPT
SCHEMBL6028644 0.73 CYP1A2 (0.54) ADRB1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3765743 0.73 GBA1 (0.64) ALDH1A1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL4483992 0.72 FAAH (0.51) ADRB1HTR3A
SCHEMBL4482673 0.72 FAAH (0.51) ADRB1MEN1KMT2ALMNAHTR3E

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 4 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
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN 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 FLT3 2167/4885ADRB1 426/4885HDAC3 29/4885

“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.