SCHEMBL640635

SCHEMBL640635

CN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL640634 1.00 HTR7 (0.40) HTR7POLBALDH1A1MEN1MAPK1
SCHEMBL639411 0.89 HTR7 (0.39) HTR7POLBALDH1A1MEN1MAPK1
SCHEMBL639412 0.89 HTR7 (0.39) HTR7POLBALDH1A1MEN1MAPK1
SCHEMBL641485 0.86 MEN1 (0.47) HTR7MEN1MAPK1KMT2AHTR1A
SCHEMBL640204 0.81 CCR1 (0.44) HTR7POLBALDH1A1MEN1MAPK1
SCHEMBL640203 0.81 CCR1 (0.44) HTR7POLBALDH1A1MEN1MAPK1
SCHEMBL639615 0.80 HTR7 (0.57) HTR7MEN1KMT2AHTR1ADRD2
SCHEMBL639616 0.80 HTR7 (0.57) HTR7MEN1KMT2AHTR1ADRD2
SCHEMBL10205644 0.80 EBP (0.48) HTR7ALDH1A1MEN1MAPK1KMT2A
SCHEMBL640107 0.79 ALDH1A1 (0.36) HTR7ALDH1A1MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US claimed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 HTR7 905/4885POLB 3390/4885ALDH1A1 1278/4885

“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.