SCHEMBL7063694

SCHEMBL7063694

O=C(c1cccnc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
CCR2 P41597 1/20 0.48
RECQL P46063 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL20417735 0.86 MAPT (0.68) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL4273734 0.85 MAPT (0.57) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL1443617 0.85 HDAC3 (0.62) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL6864420 0.83 ALDH1A1 (0.73) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL12096671 0.81 MAPT (0.61) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL12096886 0.81 MAPT (0.61) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL20417785 0.81 MAPT (0.60) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL25971926 0.81 MAPT (0.60) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL20417792 0.79 MAPT (0.65) MAPTALDH1A1LMNAHDAC3HDAC4
SCHEMBL25971930 0.79 MAPT (0.65) MAPTALDH1A1LMNAHDAC3HDAC4

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 MAPT 223/4885ALDH1A1 789/4885LMNA 3780/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MAPT 223/4885ALDH1A1 789/4885LMNA 3780/4885

“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.