SCHEMBL1111691

SCHEMBL1111691

Cc1ccccc1-c1ccccc1CN1CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.56
KMT2A Q03164 3/20 0.50
CYP2A13 Q16696 1/20 0.49
LMNA P02545 2/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MPO P05164 1/20 0.40

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
SCHEMBL3967331 0.86 KMT2A (0.66) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL6791318 0.85 HTR7 (0.59) HTR7KMT2ACYP2A13LMNAACHE
SCHEMBL1111683 0.80 HTR7 (0.64) HTR7MPO
SCHEMBL3962168 0.80 KMT2A (0.49) HTR7KMT2ACYP2A13LMNAACHE
SCHEMBL1111758 0.79 HTR7 (0.40) HTR7KMT2ACYP2A13LMNAACHE
SCHEMBL1111917 0.78 ACHE (0.49) HTR7KMT2ALMNAACHEKDM4E
SCHEMBL11371772 0.78 ACHE (0.56) HTR7KMT2ACYP2A13LMNAACHE
SCHEMBL1111800 0.77 HTR7 (0.60) HTR7
SCHEMBL1111726 0.76 HTR7 (0.48) HTR7LMNAKDM4EALDH1A1NPC1
SCHEMBL1111682 0.75 HTR7 (0.56) HTR7KMT2ALMNAKDM4EALDH1A1

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 2134/4885KMT2A 4447/4885CYP2A13 4498/4885

“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.