SCHEMBL5457598

SCHEMBL5457598

CC(C(N)=O)n1cc(C(=O)N2CCN(c3nccc4ccsc34)CC2)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.45
MALT1 Q9UDY8 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
CLK1 P49759 1/20 0.35
CNR1 P21554 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5457593 0.82 HDAC2 (0.47) HDAC2MALT1HTR1AHTR1DHTR1B
SCHEMBL615244 0.80 HDAC2 (0.46) HDAC2MALT1HTR1AHTR1DHTR1B
SCHEMBL27737057 0.77 NAMPT (0.42) MALT1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27727434 0.69 PTGDR2 (0.40) KMT2ASMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL27716166 0.69 NPSR1 (0.50)
SCHEMBL12024747 0.68 KRAS (0.51) MEN1KMT2ASMN1; SMN2MAPTCNR1
SCHEMBL615591 0.68 NAMPT (0.43) MALT1CNR1
SCHEMBL614385 0.64 AVPR1A (0.55) MEN1KMT2ASMN1; SMN2MAPTCNR1
SCHEMBL615451 0.64 SCD (0.44) MEN1KMT2AMAPTCNR1
SCHEMBL3679802 0.64 HRH4 (0.56) HDAC2MALT1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US claimed

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-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR HDAC2 1627/4885MALT1 3353/4885HTR1A 16/4885

“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.