SCHEMBL4483266

SCHEMBL4483266

NC(=O)c1ccc2c(c1)CC(C(N)=O)(c1nccs1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
CHEK2 O96017 1/20 0.37
NNMT P40261 2/20 0.35
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
HSD17B3 P37058 1/20 0.33
PARP1 P09874 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2040851 0.74 LMNA (0.39) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL2053963 0.71 LMNA (0.36) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3797646 0.71 ALDH1A1 (0.35) LMNAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL2016931 0.70 LMNA (0.38) NPC1LMNARAB9ASMN1; SMN2MEN1
SCHEMBL28088924 0.70 CNR2 (0.38) LMNAL3MBTL1ALDH1A1HSD17B10
SCHEMBL2037379 0.69 PDE4A (0.34) LMNAL3MBTL1ALDH1A1HSD17B10
SCHEMBL15690983 0.66 KDM4E (0.48) KDM1AMEN1MAPTKMT2AKDM4E
SCHEMBL13620650 0.65 KDM1A (0.44) KDM1ANPC1RAB9AMEN1MAPT
SCHEMBL4555606 0.65 CHEK2 (0.36) KDM1ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL4701189 0.65 NPC1 (0.47) NPC1LMNARAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US claimed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US claimed
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 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 (2 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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 KDM1A 3738/4885NPC1 1228/4885LMNA 3060/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 KDM1A 3464/4885NPC1 1204/4885LMNA 2960/4885

“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.