SCHEMBL4738852

SCHEMBL4738852

O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc(C#Cc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.46
HDAC1 Q13547 9/20 0.46
HDAC2 Q92769 9/20 0.46
HDAC4 P56524 8/20 0.46
HDAC7 Q8WUI4 8/20 0.46
HDAC10 Q969S8 8/20 0.46
HDAC11 Q96DB2 8/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC6 Q9UBN7 8/20 0.46
HDAC9 Q9UKV0 8/20 0.46
HDAC5 Q9UQL6 8/20 0.46
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
ERAP2 Q6P179 1/20 0.44
CTSL P07711 1/20 0.43
ECE1 P42892 1/20 0.42
CDK4 P11802 2/20 0.42

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
SCHEMBL4737661 0.89 ERAP2 (0.52) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4736157 0.86 ALOX5 (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4734288 0.85 ITGB2 (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3942280 0.85 ALOX5 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3936476 0.84 ALOX5 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4737016 0.83 ALOX5 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4733532 0.83 ITGB2 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3941237 0.82 ALOX5 (0.47) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL3944233 0.81 ALOX5 (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL13902858 0.81 ALOX5 (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7

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
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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
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
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 HDAC3 1526/4885HDAC1 1780/4885HDAC2 1007/4885

“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.