SCHEMBL8212593

SCHEMBL8212593

O=C(Nc1ccc(C#Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
PAX8 Q06710 6/20 0.45
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43
NR4A1 P22736 1/20 0.43
PTK2B Q14289 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8212418 0.85 TAAR1 (0.49) SMN1; SMN2MAPTNPC1KMT2AKDM4E
SCHEMBL8208836 0.82 MEN1 (0.52) SMN1; SMN2MAPTKMT2AMEN1LMNA
SCHEMBL8212481 0.79 RAB9A (0.54) SMN1; SMN2MAPTNPC1KMT2ARAB9A
SCHEMBL8212396 0.75 RAB9A (0.49) SMN1; SMN2MAPTNPC1KMT2ARAB9A
SCHEMBL8216222 0.74 NPC1 (0.50) SMN1; SMN2MAPTNPC1KMT2ARAB9A
SCHEMBL8218401 0.74 MAPT (0.53) SMN1; SMN2MAPTNPC1KMT2ARAB9A
SCHEMBL8215633 0.74 KIF11 (0.50) MAPTKMT2AMEN1FPR2
SCHEMBL8212617 0.73 NPC1 (0.54) SMN1; SMN2MAPTNPC1KMT2ARAB9A
SCHEMBL8216081 0.73 MAPT (0.56) SMN1; SMN2MAPTNPC1KMT2ARAB9A
SCHEMBL8212426 0.73 ADAM17 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 SMN1; SMN2 2291/4885MAPT 739/4885NPC1 481/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF SMN1; SMN2 1570/4885MAPT 874/4885NPC1 477/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI SMN1; SMN2 2646/4885MAPT 804/4885NPC1 415/4885

“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.