SCHEMBL4634258

SCHEMBL4634258

Cc1ccc(C#Cc2ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
P2RY14 Q15391 1/20 0.41
TACR1 P25103 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 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
SCHEMBL4633400 0.94 KDM4E (0.44) NPC1RAB9AATMKDM4EMMP2
SCHEMBL4633411 0.93 HDAC3 (0.43) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL4632701 0.92 ITGB2 (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4633696 0.92 HDAC3 (0.43) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL4633723 0.91 MAPT (0.44) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL4737370 0.91 MEN1 (0.41) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL4735841 0.91 MEN1 (0.41) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL14159252 0.91 HDAC3 (0.47) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL4633718 0.91 HDAC3 (0.47) KDM4EMMP2MMP9MAPTSMN1; SMN2
SCHEMBL14161919 0.91 TACR1 (0.44) KDM4EMMP2MMP9MAPTSMN1; SMN2

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 9 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
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
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 NPC1 2711/4885RAB9A 1619/4885ATM 2800/4885

“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.