SCHEMBL13600524

SCHEMBL13600524

COc1ccc(NC(=O)c2cccc(-c3csc(NC(=O)[C@@H]4Cc5ccccc5[C@@H]4C)n3)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GRM4 Q14833 1/20 0.43
PAX8 Q06710 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4432231 1.00 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL4432321 1.00 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL4432235 1.00 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL13600532 1.00 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL13709454 0.91 MEN1 (0.45) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL13709484 0.91 MEN1 (0.45) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL14445496 0.89 MEN1 (0.43) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL14444840 0.89 MEN1 (0.43) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL4438269 0.85 MAPT (0.47) MAPTGAARAB9ASMN1; SMN2NPC1
SCHEMBL14300436 0.79 MAPT (0.45) MAPTGAARAB9ASMN1; SMN2NPC1

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-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-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
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
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
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 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 MAPT 4647/4885GAA 4867/4885RAB9A 2892/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 MAPT 4600/4885GAA 4868/4885RAB9A 2834/4885

“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.