SCHEMBL12417570

SCHEMBL12417570

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.36
KCNQ2 O43526 3/20 0.36
LMNA P02545 1/20 0.34
NFE2L2 Q16236 2/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 1/20 0.34
NAPRT Q6XQN6 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12418845 0.83 CYP3A4 (0.37) KCNQ3KCNQ2LMNACYP3A4CYP2D6
SCHEMBL4847098 0.80 CYP2D6 (0.39) LMNACYP2D6SLC6A4SLC6A3KCNH2
SCHEMBL751636 0.79 NR3C1 (0.42) KCNQ3KCNQ2LMNACYP3A4CYP2D6
SCHEMBL754412 0.75 NR3C1 (0.43) KCNQ3KCNQ2LMNACYP3A4CYP2D6
SCHEMBL11538609 0.70 SLC6A2 (0.50) KCNQ3KCNQ2CYP3A4CYP2D6SLC6A2
SCHEMBL12417576 0.69 NR3C1 (0.53) ALDH1A1NR3C1TDP1
SCHEMBL11849769 0.68 TSHR (0.41) LMNAATMALDH1A1SMN1; SMN2MEN1
SCHEMBL25327860 0.67 SMN1; SMN2 (0.42) LMNACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL3382818 0.67 CYP3A4 (0.42) KCNQ3KCNQ2CYP3A4CYP2D6SLC6A2
SCHEMBL751365 0.67 SMN1; SMN2 (0.53) KCNQ3KCNQ2LMNACYP3A4CYP2D6

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 KCNQ3 3134/4885KCNQ2 3225/4885LMNA 4052/4885

“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.