SCHEMBL18159370

SCHEMBL18159370

Cc1ccc(SSc2ccc(C)cc2C=O)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
ERN1 O75460 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP2A6 P11509 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.37
PIM3 Q86V86 1/20 0.36
LMNA P02545 4/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18150545 0.79 SRC (0.40) SRCERN1ALDH1A1CYP2A6GAA
SCHEMBL30138925 0.79 SRC (0.47) SRCERN1ALDH1A1CYP2A6GAA
SCHEMBL2888296 0.77 ERN1 (0.52) SRCERN1ALDH1A1CYP2A6GAA
SCHEMBL268706 0.75 ALDH1A1 (0.52) SRCERN1ALDH1A1CYP2A6GAA
SCHEMBL22867745 0.74 ALDH1A1 (0.44) SRCERN1ALDH1A1CYP2A6GAA
SCHEMBL8624080 0.74 ERN1 (0.59) ERN1RAB9AALDH1A1CYP2A6KDM4E
SCHEMBL28109967 0.73 ALDH1A1 (0.50) SRCERN1ALDH1A1CYP2A6GAA
P-Xylene SCHEMBL7770805 0.73 ALDH1A1 (0.50) SRCERN1ALDH1A1CYP2A6GAA
SCHEMBL6511595 0.72 HPGD (0.39) NPC1RAB9AALDH1A1CYP2A6LMNA
SCHEMBL459167 0.71 SRC (0.47) SRCERN1ALDH1A1CYP2A6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A SRC 191/4885ERN1 2145/4885NPC1 2617/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A SRC 191/4885ERN1 2145/4885NPC1 2617/4885

“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.