SCHEMBL19669163

SCHEMBL19669163

COC(=O)c1[nH]c(=O)[nH]c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
PLA2G10 O15496 1/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PADI4 Q9UM07 1/20 0.46
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
TSHR P16473 2/20 0.44
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL15946982 0.84 MAPK14 (0.49) ALDH1A1GAAHSD17B10LMNAHTT
SCHEMBL13984204 0.82 LMNA (0.45) ALDH1A1GAAKDM4EHPGDLMNA
SCHEMBL15946980 0.81 KDM4E (0.61) ALDH1A1GAAKDM4EHSD17B10PLA2G10
SCHEMBL15946979 0.80 KDM4E (0.65) ALDH1A1GAAKDM4EHSD17B10PLA2G10
SCHEMBL10991117 0.78 LMNA (0.59) ALDH1A1GAAHPGDLMNAHTT
SCHEMBL20568130 0.74 LMNA (0.48) ALDH1A1GAAKDM4ELMNAHTT
SCHEMBL8442953 0.73 ALDH1A1 (1.00) ALDH1A1GAAKDM4EHSD17B10PLA2G10
SCHEMBL3640867 0.72 NR4A2 (0.47) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL14705962 0.72 ALDH1A1 (0.50) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL6676446 0.72 HTT (0.48) ALDH1A1GAAKDM4EHSD17B10HPGD

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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ALDH1A1 3761/4885GAA 1799/4885KDM4E 941/4885

“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.