SCHEMBL2893909

SCHEMBL2893909

COc1cccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nc3ccccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
RAB9A P51151 4/20 0.60
DHODH Q02127 1/20 0.60
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
NR3C1 P04150 3/20 0.53
CSNK1D P48730 2/20 0.53
KLF5 Q13887 1/20 0.53
SCD O00767 6/20 0.52
PLCG2 P16885 1/20 0.52

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
SCHEMBL2900354 0.91 NR3C1 (0.64) NPC1KMT2AMEN1RAB9ADHODH
SCHEMBL2896133 0.90 DCLK1 (0.53) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL2899602 0.89 SCD (0.64) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL2900198 0.89 NPC1 (0.63) NPC1KMT2AMEN1RAB9ADHODH
SCHEMBL2901429 0.88 CSNK1D (0.66) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL2899832 0.87 CSNK1D (0.56) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL2897907 0.85 NR3C1 (0.54) NPC1RAB9ANR3C1
SCHEMBL2901390 0.84 NPC1 (0.56) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL2899388 0.83 NR3C1 (0.62) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL2903895 0.82 NR3C1 (0.58) NPC1KMT2AMEN1RAB9AMAPT

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-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA NPC1 1595/4885KMT2A 2852/4885MEN1 3339/4885

“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.