SCHEMBL793413

SCHEMBL793413

O=c1[nH]c2cccc(N3CCN(CCCNS(=O)(=O)c4ccc(Br)cc4)CC3)c2o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.54
HTR2A P28223 3/20 0.54
MCHR1 Q99705 1/20 0.54
HTR1A P08908 9/20 0.51
HTR7 P34969 4/20 0.48
HTR2C P28335 1/20 0.48
DRD4 P21917 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
DRD3 P35462 2/20 0.48
SLC6A4 P31645 4/20 0.47
SIGMAR1 Q99720 3/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL791204 0.97 DRD2 (0.54) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL792922 0.85 DRD2 (0.56) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL793457 0.85 HTR1A (0.58) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL793149 0.84 HTR7 (0.56) DRD2HTR2AHTR1AHTR7HTR2C
SCHEMBL15064338 0.84 DRD2 (0.58) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL793456 0.84 HTR7 (0.55) DRD2HTR2AHTR1AHTR7HTR2C
SCHEMBL791184 0.83 DRD2 (0.51) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL793124 0.83 DRD2 (0.56) DRD2HTR2AMCHR1HTR1AHTR7
SCHEMBL791619 0.82 HTR7 (0.59) DRD2HTR2AHTR1AHTR7HTR2C
SCHEMBL791164 0.81 HTR7 (0.59) DRD2HTR2AHTR1AHTR7HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 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 (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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885HTR2A 1150/4885MCHR1 2160/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885HTR2A 1150/4885MCHR1 2160/4885

“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.