SCHEMBL10332007

SCHEMBL10332007

CCc1ccc(-c2ccc(C(=O)N(C)C)cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
TP53 P04637 2/20 0.57
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 4/20 0.49
THRB P10828 2/20 0.49
GPR119 Q8TDV5 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 4/20 0.45
HSD17B10 Q99714 4/20 0.45
CLK4 Q9HAZ1 3/20 0.45
CYP2D6 P10635 2/20 0.45
USP7 Q93009 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
MITF O75030 1/20 0.44
KLF5 Q13887 1/20 0.44

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
SCHEMBL764332 0.80 ATR (0.50) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL4485529 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HPGD
SCHEMBL803150 0.79 RAB9A (0.69) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL10332014 0.79 RAB9A (0.51) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL10331376 0.77 EPHX2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL17954213 0.76 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL3064141 0.76 HRH3 (0.49) SMN1; SMN2NPC1RAB9A
SCHEMBL10272733 0.74 MAPT (0.46) SMN1; SMN2NPC1RAB9ANFKB1MAPT
SCHEMBL12684741 0.74 RAB9A (0.63) SMN1; SMN2NPC1RAB9ATP53NFKB1
SCHEMBL10561342 0.74 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ATP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA SMN1; SMN2 3208/4885NPC1 1816/4885RAB9A 1283/4885

“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.