SCHEMBL13099802

SCHEMBL13099802

COc1ccc(C(=O)Nc2nn(CCOC(C)=O)c3nc(-c4cnn5ccccc45)c(F)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
CASP1 P29466 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 4/20 0.39
HPGD P15428 3/20 0.39
CASP7 P55210 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 3/20 0.39
TP53 P04637 3/20 0.39
ALOX15 P16050 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
EGFR P00533 1/20 0.37
HDAC1 Q13547 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
SCHEMBL7948913 0.94 LMNA (0.41) ALDH1A1CASP1KDM4EMAPK1ATM
SCHEMBL8049800 0.93 KDM4E (0.42) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL13099804 0.91 ADORA3 (0.40) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL3107285 0.90 KDM4E (0.39) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL13099805 0.88 LMNA (0.42) ALDH1A1KDM4EHPGDTDP1TP53
SCHEMBL13099798 0.88 RAB9A (0.39) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL13099801 0.87 APOBEC3A (0.44) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL13099815 0.87 ALDH1A1 (0.38) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL8049619 0.87 KDM4E (0.39) ALDH1A1CASP1KDM4EMAPK1HPGD
SCHEMBL3264079 0.85 ATM (0.39) ALDH1A1CASP1KDM4EMAPK1HPGD

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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 ALDH1A1 2584/4885CASP1 2618/4885KDM4E 1683/4885

“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.