SCHEMBL10148288

SCHEMBL10148288

C[C@H](Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RCE1 Q9Y256 1/20 0.40
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
EEF2K O00418 1/20 0.39
ELANE P08246 2/20 0.38
CTRB1 P17538 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
CTSK P43235 2/20 0.36
PRTN3 P24158 1/20 0.36

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
SCHEMBL399310 0.85 KDM4E (0.52) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL14457076 0.81 KDM4E (0.51) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL399994 0.80 KDM4E (0.48) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL396969 0.79 ATM (0.45) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL400114 0.77 KDM4E (0.56) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL3759456 0.76 KDM4E (0.43) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148329 0.75 KDM4E (0.41) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL398445 0.75 KDM4E (0.74) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL10148318 0.74 HPGD (0.40) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL400974 0.72 ALDH1A1 (0.50) ATMKDM4EALDH1A1GAAHPGD

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 8 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-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 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-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
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 (2 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 ATM 3210/4885KDM4E 2021/4885ALDH1A1 416/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 ATM 3210/4885KDM4E 2021/4885ALDH1A1 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.