SCHEMBL2395909

SCHEMBL2395909

CC1=CC(C)(C)N(C(N)=O)c2ccc(-c3ccccc3O)c(-c3cccnc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
IKBKB O14920 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
MKNK1 Q9BUB5 4/20 0.34
MKNK2 Q9HBH9 4/20 0.34
KMT2A Q03164 2/20 0.34
ACLY P53396 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HASPIN Q8TF76 1/20 0.34
MEN1 O00255 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
SCHEMBL2395836 0.88 MKNK1 (0.43) LMNANPSR1TSHRUSP2MAPK1
SCHEMBL1155160 0.64 ALDH1A1 (0.60) LMNAIKBKBALDH1A1CYP1A2CYP3A4
SCHEMBL30070521 0.64 ALDH1A1 (0.60) LMNAIKBKBALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21412299 0.63 ALDH1A1 (0.58) LMNAIKBKBALDH1A1CYP1A2CYP3A4
SCHEMBL27802325 0.61 CYP2A6 (0.64) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4248367 0.61 CYP2A6 (0.51) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL18528875 0.60 CYP2A6 (0.52) LMNAIKBKBALDH1A1CYP1A2CYP3A4
SCHEMBL28592192 0.59 MKNK1 (0.58) IKBKBALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL4248368 0.59 CYP2A6 (0.50) LMNAIKBKBALDH1A1CYP1A2CYP3A4
SCHEMBL29266806 0.59 CYP2A6 (0.54) LMNATSHRALDH1A1CYP1A2CYP3A4

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-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 LMNA 4519/4885IKBKB 1270/4885NPSR1 135/4885

“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.