SCHEMBL3340732

SCHEMBL3340732

Cc1cc(S(=O)(=O)N2CCCCC2CCS(=O)(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
BDKRB1 P46663 3/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
EBP Q15125 1/20 0.37
DHCR7 Q9UBM7 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 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
Hydrochloric Acid SCHEMBL641496 0.99 KMT2A (0.47) KMT2AMEN1HCRTR1HCRTR2BDKRB1
SCHEMBL641485 0.92 MEN1 (0.47) KMT2AMEN1HCRTR1HCRTR2BDKRB1
SCHEMBL10205740 0.79 KMT2A (0.55) KMT2AMEN1HCRTR1HCRTR2BDKRB1
SCHEMBL15204129 0.78 BDKRB1 (0.45) KMT2AMEN1HCRTR1HCRTR2BDKRB1
SCHEMBL13692072 0.78 PSEN1 (0.59) KMT2AMEN1HCRTR1HCRTR2BDKRB1
Hydrochloric Acid SCHEMBL2570810 0.78 BDKRB1 (0.44) KMT2AMEN1HCRTR1HCRTR2BDKRB1
SCHEMBL640634 0.78 HTR7 (0.40) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL640635 0.78 HTR7 (0.40) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL639411 0.77 HTR7 (0.39) KMT2AMEN1TP53TSHRALDH1A1
SCHEMBL639412 0.77 HTR7 (0.39) KMT2AMEN1TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed

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 KMT2A 2575/4885MEN1 1203/4885HCRTR1 567/4885

“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.