SCHEMBL4873752

SCHEMBL4873752

CCOCc1csc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS1 P29475 2/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.38

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
SCHEMBL13900769 0.83 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL958545 0.80
Hydrochloric Acid SCHEMBL4796242 0.79 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL31093366 0.79 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL12126197 0.78 PKM (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4780449 0.78 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL436856 0.78
SCHEMBL91420 0.77
SCHEMBL9892952 0.76 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6363647 0.76

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-7411071-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-12 US disclosed
EP-1844028-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2007-10-17 EP disclosed
WO-2006076633-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154975-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (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-20060154975-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NR3C1, RCOR1, NFRKB RAB9A 1806/4885SMN1; SMN2 4825/4885NPC1 1300/4885

“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.