SCHEMBL3763230

SCHEMBL3763230

CC(=O)Nc1nc2c(cc1C(N)=O)c1ccccc1n2C[C@H](C)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 3/20 0.37

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
SCHEMBL3759456 0.90 KDM4E (0.43) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL399696 0.88 HPGD (0.42) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL10148318 0.87 HPGD (0.40) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL398563 0.86 KDM4E (0.54) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL3757891 0.86 KDM4E (0.54) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL3442380 0.86 KDM4E (0.54) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL399931 0.84 KDM4E (0.55) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL396235 0.83 HPGD (0.37) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL14456914 0.82 KDM4E (0.43) HPGDKDM4EALDH1A1L3MBTL1TSHR
SCHEMBL399310 0.78 KDM4E (0.52) HPGDKDM4EALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 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-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 HPGD 1661/4885KDM4E 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.