SCHEMBL9913432

SCHEMBL9913432

Cn1ncc2cc(C(C)(C)C(C)(C)CNC(=O)Nc3nccs3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.45
ADORA2A P29274 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.38
DDR2 Q16832 1/20 0.38
KCNA5 P22460 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL16300042 0.87 NR3C1 (0.53) NR3C1MEN1KMT2AMAPK14DDR2
SCHEMBL3595033 0.85 NR3C1 (0.64) NR3C1
SCHEMBL12140409 0.83 NR3C1 (0.48) NR3C1ADORA2ASMN1; SMN2NPC1TP53
SCHEMBL12140410 0.81 MEN1 (0.48) NR3C1ADORA2ASMN1; SMN2NPC1TP53
SCHEMBL12140459 0.70 NR3C1 (0.59) NR3C1
SCHEMBL1362073 0.69 NR3C1 (0.69) NR3C1
SCHEMBL9913433 0.68 TRPA1 (0.40) NR3C1NPC1RAB9AHPGDALDH1A1
SCHEMBL3590258 0.68 MAPK1 (0.53) NR3C1
SCHEMBL3602080 0.67 NR3C1 (0.57) NR3C1
SCHEMBL9913431 0.67 PDE1C (0.46) NPC1RAB9AHPGDALDH1A1

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-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 NR3C1 5/4885ADORA2A 1182/4885SMN1; SMN2 4149/4885

“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.