SCHEMBL10148129

SCHEMBL10148129

COC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RCE1 Q9Y256 1/20 0.46
EEF2K O00418 4/20 0.40
IKBKB O14920 1/20 0.36
LMNA P02545 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 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
SCHEMBL3442888 0.88 RCE1 (0.51) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL398382 0.80 RCE1 (0.52) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL10148134 0.80 KDM4E (0.45) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL400610 0.77 KDM4E (0.44) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL396899 0.77 RCE1 (0.49) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL400611 0.76 RCE1 (0.55) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL10148123 0.76 KDM4E (0.53) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL400001 0.76 RCE1 (0.44) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL397710 0.75 RCE1 (0.50) ALDH1A1KDM4EGAAHPGDALOX15
SCHEMBL398445 0.74 KDM4E (0.74) ALDH1A1KDM4EGAAHPGDALOX15

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 4 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-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-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 ALDH1A1 416/4885KDM4E 2021/4885GAA 4014/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 ALDH1A1 416/4885KDM4E 2021/4885GAA 4014/4885

“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.