SCHEMBL1111696

SCHEMBL1111696

Clc1ccc(-c2ccncc2CN2CC[N]CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.49
HTR7 P34969 2/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
HRH1 P35367 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1B Q00975 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 1/20 0.35
TACR3 P29371 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1111732 0.89 LSS (0.49) LSSHTR7CNR1NPC1RAB9A
SCHEMBL32667401 0.85 LSS (0.48) LSSHTR7HTR1AHTR2AHTR2B
SCHEMBL1111682 0.81 HTR7 (0.56) LSSHTR7ALDH1A1KDM4EKMT2A
SCHEMBL1540120 0.76 KDM4E (0.45) LSSHTR7POLBHRH1CYP1A2
SCHEMBL1540122 0.76 DRD4 (0.49) LSSHTR7POLBCYP1A2CYP2D6
SCHEMBL32667353 0.74 LSS (0.48) LSSHTR7KCNH2HTR1AHTR2A
SCHEMBL1111737 0.74 ALDH1A1 (0.44) LSSHTR7NPC1RAB9ASMN1; SMN2
SCHEMBL3820660 0.74 RPS6KA3 (0.44) LSSNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3821319 0.74 LIMK1 (0.41) LSSNPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL30790493 0.73 LSS (0.50) LSSSMN1; SMN2POLBHTTCACNA1B

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 LSS 1362/4885HTR7 2134/4885CNR1 3278/4885

“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.