SCHEMBL14739636

SCHEMBL14739636

O=c1[nH]ccc2c1CC(=S)N2Cc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.39
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
DRD4 P21917 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
F10 P00742 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MDH2 P40926 1/20 0.32

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
SCHEMBL14740403 0.86 PDE10A (0.43) ALDH1A1DRD4
SCHEMBL14739742 0.74 ALOX15 (0.41)
SCHEMBL14740374 0.73 KDM4E (0.39) MAPTDRD4
SCHEMBL1536749 0.70 MPO (0.61)
SCHEMBL14739684 0.69 CYP1B1 (0.37) HRH4ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1536813 0.67 MPO (0.46) KMT2A
SCHEMBL18807852 0.67
SCHEMBL14740299 0.66 BCHE (0.46) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL485294 0.64 TDP1 (0.53) HRH4KMT2ALMNAALDH1A1MEN1
SCHEMBL9598307 0.63 TDP1 (0.49) HRH4KMT2ALMNAMEN1GAA

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-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 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-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT HRH4 2277/4885KMT2A 597/4885ATM 2097/4885

“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.