SCHEMBL7067545

SCHEMBL7067545

COc1cc(OC)c(C(=O)c2cc3c(S(=O)(=O)c4ccccc4)ccnc3[nH]2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
FBP1 P09467 1/20 0.37
MET P08581 1/20 0.37
CASP3 P42574 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
GAA P10253 2/20 0.36
PKM P14618 2/20 0.36
HDAC1 Q13547 1/20 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
SCHEMBL7063837 0.91 HTR6 (0.43) HTR6POLBKMT2ASMN1; SMN2RXFP1
SCHEMBL7062024 0.89 ALDH1A1 (0.44) POLBKMT2ASMN1; SMN2FBP1GAA
SCHEMBL7060983 0.89 HSD11B1 (0.48) HPGDPOLBKMT2ASMN1; SMN2NPSR1
SCHEMBL7067343 0.85 TUBB4A (0.45) HPGDGAAKDM4E
SCHEMBL7065226 0.83 FBP1 (0.42) HPGDKMT2ASMN1; SMN2NPSR1RXFP1
SCHEMBL7066081 0.82 KAT6A (0.48) KMT2ASMN1; SMN2NPSR1FBP1PKM
SCHEMBL7612318 0.78 CASP3 (0.39) HPGDPOLBMAPK1KMT2ASMN1; SMN2
SCHEMBL10003711 0.77 TUBB4A (0.47) HPGDPOLBKMT2ASMN1; SMN2PIK3C3
SCHEMBL10002790 0.70 RAB9A (0.41) HPGDPOLBKMT2ASMN1; SMN2NPSR1
SCHEMBL10003174 0.69 FGFR1 (0.56) HDAC6SRC

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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885HPGD 2111/4885POLB 3573/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885HPGD 2111/4885POLB 3573/4885

“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.