SCHEMBL400462

SCHEMBL400462

CC(C)(C)N(CCn1c2ccccc2c2cc(C(N)=O)c(N)nc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RCE1 Q9Y256 1/20 0.44
EEF2K O00418 3/20 0.43
IKBKB O14920 1/20 0.38
EEF2 P13639 1/20 0.37
PTGER4 P35408 2/20 0.35
NPC1 O15118 4/20 0.35
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
SMARCA2 P51531 1/20 0.34
CTNNB1 P35222 1/20 0.34

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
SCHEMBL399161 0.85 ALDH1A1 (0.55) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL400001 0.84 RCE1 (0.44) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL400974 0.84 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL401113 0.82 HPGD (0.61) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL399322 0.81 KDM4E (0.57) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL400404 0.81 KDM4E (0.57) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL399895 0.80 RCE1 (0.43) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL397680 0.80 KDM4E (0.48) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL399976 0.80 KDM4E (0.48) KDM4EGAAALDH1A1HPGDALOX15
SCHEMBL398282 0.80 KDM4E (0.56) KDM4EGAAALDH1A1HPGDALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 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-20070207997-A1 Alpha carbolines and uses thereof CHRM1, CNR1, CXCR1 KDM4E 2021/4885GAA 4014/4885ALDH1A1 416/4885

“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.