SCHEMBL7063837

SCHEMBL7063837

COc1ccccc1C(=O)c1cc2c(S(=O)(=O)c3ccccc3)ccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
SRC P12931 1/20 0.41
TGFBR1 P36897 1/20 0.41
FBP1 P09467 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MET P08581 1/20 0.38
FLT3 P36888 1/20 0.38
CHUK O15111 1/20 0.38
INSR P06213 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
KMT2A Q03164 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
CNR2 P34972 1/20 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
SCHEMBL7067545 0.91 HTR6 (0.40) HTR6SRCTGFBR1FBP1PIK3C3
SCHEMBL7060983 0.90 HSD11B1 (0.48) FBP1KMT2AMEN1TP53RAB9A
SCHEMBL7062024 0.90 ALDH1A1 (0.44) FBP1KMT2AMEN1NPC1TP53
SCHEMBL7067343 0.86 TUBB4A (0.45) GAA
SCHEMBL7065226 0.84 FBP1 (0.42) FBP1PIK3C3RXFP1METKMT2A
SCHEMBL7066081 0.82 KAT6A (0.48) FBP1KMT2AMEN1NPC1RAB9A
SCHEMBL10003711 0.78 TUBB4A (0.47) PIK3C3METKMT2AMEN1NPC1
SCHEMBL5716682 0.74 MEN1 (0.50) SRCFLT3KMT2ACNR2MEN1
SCHEMBL10002790 0.71 RAB9A (0.41) PIK3C3METKMT2AABCC9ABCC8
SCHEMBL7612318 0.68 CASP3 (0.39) RXFP1FLT3KMT2ATP53SMN1; SMN2

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 563/4885SRC 1147/4885TGFBR1 4516/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885SRC 1147/4885TGFBR1 4516/4885

“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.