SCHEMBL1677495

SCHEMBL1677495

CSc1ccc(-c2ccccc2CN2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR7 P34969 8/20 0.47
CXCR4 P61073 1/20 0.47
MLNR O43193 3/20 0.46
SIGMAR1 Q99720 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL1677492 1.00 LMNA (0.52) LMNAATMSMN1; SMN2HTR7CXCR4
SCHEMBL7097403 0.84 HTR7 (0.62) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL30616744 0.84 HTR7 (0.64) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL2472212 0.84 HTR7 (0.64) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL1111791 0.83 ATM (0.50) ATMSMN1; SMN2HTR7HRH3GAA
SCHEMBL32667521 0.81 HTR7 (0.57) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL1138323 0.81 HTR7 (0.57) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL7098277 0.81 LMNA (0.53) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL7101510 0.81 LMNA (0.53) LMNAHTR7CXCR4MLNRSIGMAR1
SCHEMBL376781 0.81 HTR7 (0.56) LMNAHTR7CXCR4MLNRSIGMAR1

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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 LMNA 325/4885ATM 2318/4885SMN1; SMN2 1633/4885

“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.