SCHEMBL1111758

SCHEMBL1111758

Cc1ccc(-c2ccccc2CN2CC[N]CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.40
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
ADRA1A P35348 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2A13 Q16696 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MPO P05164 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
SCHEMBL1111691 0.79 HTR7 (0.56) HTR7KMT2ACYP2A13MEN1NPC1
SCHEMBL1111744 0.78 LTA4H (0.51) HTR7ADRA1AKMT2AMEN1NPC1
SCHEMBL24342582 0.78 PDCD1 (0.42) HTR7KRASSOS1ADRA1AKMT2A
SCHEMBL1540196 0.76 HTR7 (0.51) HTR7KMT2AMEN1LMNAALDH1A1
SCHEMBL1540199 0.76 HTR7 (0.51) HTR7KMT2AMEN1LMNAALDH1A1
SCHEMBL1111683 0.75 HTR7 (0.64) HTR7MPO
SCHEMBL3967331 0.75 KMT2A (0.66) KMT2ACYP2A13MEN1NPC1RAB9A
SCHEMBL13472040 0.73 ADRA1A (0.40) SOS1ADRA1AKMT2APTGS2MEN1
SCHEMBL1111800 0.73 HTR7 (0.60) HTR7
SCHEMBL24803972 0.72 LTA4H (0.58) KRASSOS1ADRA1AKMT2APTGS2

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 2134/4885KRAS 2262/4885SOS1 673/4885

“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.