SCHEMBL4633387

SCHEMBL4633387

CNC(=O)c1ccc(C#Cc2ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC3 O15379 12/20 0.42
HDAC1 Q13547 12/20 0.42
HDAC2 Q92769 12/20 0.42
HDAC6 Q9UBN7 11/20 0.42
HDAC4 P56524 10/20 0.42
HDAC7 Q8WUI4 10/20 0.42
HDAC10 Q969S8 10/20 0.42
HDAC11 Q96DB2 10/20 0.42
HDAC8 Q9BY41 10/20 0.42
HDAC9 Q9UKV0 10/20 0.42
HDAC5 Q9UQL6 10/20 0.42
MMP9 P14780 4/20 0.41
CTSL P07711 1/20 0.40
MMP2 P08253 2/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL14069723 0.94 ALOX5 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4736749 0.93 TACR1 (0.46) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4736756 0.93 MMP9 (0.49) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL13945806 0.93 MMP9 (0.47) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4735529 0.92 MEN1 (0.47) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4735787 0.92 KMT2A (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4633412 0.92 GPR84 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4735841 0.92 MEN1 (0.41) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4041218 0.91 CTSL (0.44) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL4634227 0.91 TACR1 (0.44) MEN1KMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US claimed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP claimed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MEN1 188/4885KMT2A 715/4885HDAC3 1526/4885

“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.