SCHEMBL4041218

SCHEMBL4041218

CNC(=O)c1ccc(C#Cc2ccc(OC(C)C)c(C(=O)NC(CC#N)Cc3c[nH]c4ccccc34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.44
HDAC3 O15379 9/20 0.41
HDAC1 Q13547 9/20 0.41
HDAC2 Q92769 9/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC4 P56524 7/20 0.40
HDAC7 Q8WUI4 7/20 0.40
HDAC10 Q969S8 7/20 0.40
HDAC11 Q96DB2 7/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC9 Q9UKV0 7/20 0.40
HDAC5 Q9UQL6 7/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 1/20 0.40
MMP9 P14780 3/20 0.40
CTSC P53634 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR84 Q9NQS5 2/20 0.39
CTSK P43235 1/20 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
SCHEMBL3949091 0.94 ALOX5 (0.44) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL13905429 0.94 ALOX5 (0.44) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3941490 0.92 CTSL (0.42) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL4633387 0.91 MEN1 (0.43) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL13905435 0.91 CTSL (0.40) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3941236 0.91 CTSL (0.40) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL13914323 0.91 CTSL (0.46) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL3937952 0.89 CTSL (0.43) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL13905383 0.89 CTSL (0.43) CTSLHDAC3HDAC1HDAC2HDAC6
SCHEMBL14069723 0.85 ALOX5 (0.45) CTSLHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT CTSL 384/4885HDAC3 772/4885HDAC1 1130/4885

“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.