SCHEMBL12418845

SCHEMBL12418845

CC(C)(C)C(c1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL751636 0.83 NR3C1 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12417570 0.83 KCNQ3 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL754412 0.78 NR3C1 (0.43) CYP3A4CYP2D6ALDH1A1KCNQ3KCNQ2
SCHEMBL19117766 0.77 TSHR (0.52) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL409949 0.77 TSHR (0.52) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5029899 0.77 RIPK1 (0.43) SLC6A2SLC6A4SLC6A3KCNH2L3MBTL1
SCHEMBL11538609 0.76 SLC6A2 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15136564 0.74 MEN1 (0.45) NPC1ALDH1A1KDM4EGAAMAPT
SCHEMBL13010779 0.74 SMN1; SMN2 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15154873 0.73 VDR (0.46) ALDH1A1KDM4EGAAMAPTMEN1

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-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 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-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NR0B1, NR3C1, NFRKB CYP3A4 1881/4885CYP2D6 2522/4885SLC6A2 4394/4885

“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.