SCHEMBL4640368

SCHEMBL4640368

CNC(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OCCC3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK2 Q15119 1/20 0.39
FABP4 P15090 6/20 0.36
AKR1C2 P52895 4/20 0.36
AKR1C1 Q04828 4/20 0.36
FABP3 P05413 2/20 0.35
FABP5 Q01469 2/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
BRD4 O60885 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL4642110 0.97 KDM4E (0.40) NOTUMKDM4EMAPTHTTTDP1
SCHEMBL14161471 0.88 KDM4E (0.38) NOTUMKDM4EMAPTHTTTDP1
SCHEMBL4640340 0.83 PLK1 (0.43) KDM4ELMNAPDK2FABP4AKR1C2
SCHEMBL4643990 0.82 PARP1 (0.40) NOTUMKDM4EMAPTHTTTDP1
SCHEMBL4735619 0.81 PDK2 (0.39) KDM4EMAPTHTTTDP1MEN1
SCHEMBL4640367 0.77 HTT (0.48) KDM4EMAPTHTTHSP90AA1
SCHEMBL4740181 0.77 CRBN (0.41) MAPTFABP4FABP3FABP5XDH
SCHEMBL4643594 0.76 PDK2 (0.39) PDK2AKR1C2AKR1C1XDHBRD4
SCHEMBL4641356 0.75 PARP1 (0.40) BRD4
SCHEMBL14099208 0.75 PARP1 (0.40) NOTUMKDM4EMAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 NOTUM 2454/4885KDM4E 2247/4885MAPT 4176/4885

“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.