SCHEMBL3936407

SCHEMBL3936407

CNC(=O)N(C)CC#Cc1ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 3/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 8/20 0.38
HDAC1 Q13547 8/20 0.38
HDAC2 Q92769 8/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC4 P56524 6/20 0.38
HDAC7 Q8WUI4 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC11 Q96DB2 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC9 Q9UKV0 6/20 0.38

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
SCHEMBL3944049 0.93 MEN1 (0.38) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3939981 0.92 MAPT (0.41) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3935415 0.89 ITGB2 (0.48) MAPTHPGDALDH1A1TACR1POLB
SCHEMBL3943481 0.88 MEN1 (0.43) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3938457 0.88 MAPT (0.39) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL13961580 0.88 MAPT (0.39) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3942506 0.87 ACHE (0.44) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL4633387 0.87 MEN1 (0.43) MEN1KMT2ATACR1HDAC3HDAC1
SCHEMBL3941151 0.87 MEN1 (0.42) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3945226 0.86 MMP9 (0.40) MAPTHPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US claimed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP claimed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 MAPT 3935/4885HPGD 1901/4885MEN1 274/4885

“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.