SCHEMBL3767441

SCHEMBL3767441

FC(F)(F)c1cccc(-c2csc(N3CCNCC3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.74
ALDH1A1 P00352 2/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR1D P28221 1/20 0.52
HTR2C P28335 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IDH2 P48735 1/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KARS1 Q15046 2/20 0.47

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
SCHEMBL17014764 0.85 AR (1.00) ARALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL3759712 0.84 MAPT (0.54) ARALDH1A1HTR1DHTR2CHTR3A
SCHEMBL3764390 0.81 AR (0.69) ARALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL3771000 0.81 AR (0.51) ARALDH1A1HTR1DHTR2CHTR3A
SCHEMBL3761156 0.81 RAB9A (0.63) ARALDH1A1HTR3EHTR3BHTR2C
SCHEMBL18711771 0.81 AR (0.67) ARALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL2710025 0.80 AR (0.72) ARALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL3768189 0.79 CTSL (0.52) ARMAPTSMN1; SMN2TP53ALOX15
SCHEMBL18702033 0.79 AR (0.65) ARALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL12288952 0.79 AR (0.65) ARSMN1; SMN2RAB9AL3MBTL1MEN1

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 AR 2900/4885ALDH1A1 353/4885HTR3E 335/4885

“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.