SCHEMBL10331963

SCHEMBL10331963

CCc1ccc(-c2ccc(C(=O)N(CC)CC)c(Cl)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GRIN2B Q13224 4/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HSP90AA1 P07900 3/20 0.40
▸ HSP90AB1 P08238 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIK3CA P42336 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL10331360 0.86 HSP90AA1 (0.42) SMN1; SMN2GRIN2BSLC6A3HSP90AA1HSP90AB1
SCHEMBL10331965 0.78 HPGD (0.55) SMN1; SMN2HSP90AA1HSP90AB1RAB9AKMT2A
SCHEMBL10331952 0.77 HPGD (0.53) SMN1; SMN2GRIN2BRAB9APIK3CAMTOR
SCHEMBL765478 0.77 POLB (0.47) GRIN2BRAB9AKMT2AKDM4ELMNA
SCHEMBL10332009 0.75 TP53 (0.42) GRIN2BRAB9AKMT2APIK3CAMTOR
SCHEMBL10332059 0.73 GRIN2B (0.43) GRIN2BRAB9AKMT2APIK3CAMTOR
SCHEMBL3555893 0.73 CYP3A4 (0.49) HSP90AA1HSP90AB1CYP3A4RAB9AKMT2A
SCHEMBL10332042 0.73 GRIN2B (0.38) GRIN2BCYP3A4RAB9AKMT2AKDM4E
SCHEMBL471670 0.71 HPGD (0.51) SMN1; SMN2HSP90AA1HSP90AB1CYP3A4RAB9A
SCHEMBL10331346 0.71 PDK2 (0.47) GRIN2BRAB9AKMT2AKDM4ELMNA

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 3208/4885GRIN2B 440/4885SLC6A3 3856/4885

“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.

Send feedback