SCHEMBL1111687

SCHEMBL1111687

CSc1ccc(-c2ncccc2CN2CC[N]CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ATM Q13315 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
CXCR4 P61073 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CTSK P43235 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL1111743 0.84 CXCR4 (0.43) HTR7TRPV1CXCR4DRD4TP53
SCHEMBL1111724 0.83 TRPV1 (0.44) SMN1; SMN2TRPV1CXCR4NPC1LMNA
SCHEMBL1111718 0.83 MEN1 (0.43) HTR7SMN1; SMN2TRPV1CXCR4DRD2
SCHEMBL1111701 0.83 TRPV1 (0.43) HTR7SMN1; SMN2TRPV1CXCR4DRD2
SCHEMBL1111866 0.82 KDM4E (0.49) HTR7TRPV1CXCR4DRD2DRD4
SCHEMBL1111791 0.80 ATM (0.50) HTR7SMN1; SMN2ATMDRD2DRD4
SCHEMBL1111852 0.80 PTGS2 (0.49) TRPV1CXCR4LMNA
SCHEMBL1541071 0.78 HTR7 (0.54) HTR7SMN1; SMN2ATMTRPV1DRD2
SCHEMBL1541068 0.78 HTR7 (0.54) HTR7SMN1; SMN2ATMTRPV1DRD2
SCHEMBL1111818 0.71 PTGS2 (0.40) SMN1; SMN2ATMNPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 HTR7 2134/4885SMN1; SMN2 1633/4885ATM 2318/4885

“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.