SCHEMBL2901295

SCHEMBL2901295

COc1cccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 3/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
NR3C1 P04150 3/20 0.52
PAX8 Q06710 1/20 0.49
GSTO1 P78417 1/20 0.49
CSNK2A1 P68400 2/20 0.49
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2899826 0.93 NR3C1 (0.61) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL12592604 0.93 ALDH1A1 (0.60) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2901927 0.92 MEN1 (0.67) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL12592719 0.89 RAB9A (0.56) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2899239 0.87 RAB9A (0.58) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2898765 0.86 NR3C1 (0.51) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2899819 0.85 NR3C1 (0.57) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2901336 0.84 RAB9A (0.55) RAB9ANPC1ROCK2ROCK1NR3C1
SCHEMBL2901629 0.84 RAB9A (0.59) MEN1KMT2ARAB9ANPC1NR3C1
SCHEMBL2900694 0.84 NR3C1 (0.56) MEN1KMT2AALDH1A1RAB9ANPC1

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 MEN1 3339/4885KMT2A 2852/4885ALDH1A1 4179/4885

“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.