SCHEMBL1200224

SCHEMBL1200224

N=C(N)SCc1csc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NOS1 P29475 2/20 0.43
IDO1 P14902 14/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
HPGD P15428 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
SLC11A2 P49281 1/20 0.36

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
SCHEMBL14281051 0.84 HPGD (0.37) MAPTHTTLMNASMN1; SMN2HPGD
SCHEMBL1121587 0.72 HPGD (0.41) MAPTHTTLMNASMN1; SMN2HPGD
SCHEMBL2041229 0.69 HPGD (0.39) MAPTHTTSMN1; SMN2HPGD
SCHEMBL15572842 0.68 HPGD (0.38) MAPTHTTLMNASMN1; SMN2HPGD
SCHEMBL22275784 0.68 MAPT (0.55) MAPTNOS1IDO1HTTLMNA
Bromide SCHEMBL20918047 0.66 MAPT (0.53) MAPTNOS1IDO1HTTLMNA
SCHEMBL24133841 0.64 CYP2A6 (0.56) MAPTNOS1IDO1HTTLMNA
SCHEMBL14930463 0.64 SMN1; SMN2 (0.43) MAPTHTTSMN1; SMN2HPGD
SCHEMBL5450413 0.62 NOS1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL3121683 0.62 HPGD (0.58) MAPTHTTLMNASMN1; SMN2HPGD

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-20110046142-A1 ANTIBIOTIC COMPOUNDS NORTHEASTERN UNIVERSITY (US) 2011-02-24 US disclosed
US-20080027044-A1 Prodrug antibiotic screens NORTHEASTERN UNIVERSITY 2008-01-31 US disclosed
US-20080027044-A1 Prodrug antibiotic screens NORTHEASTERN UNIVERSITY 2008-01-31 US disclosed
US-20080027044-A1 Prodrug antibiotic screens NORTHEASTERN UNIVERSITY 2008-01-31 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 (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-20110046142-A1 ANTIBIOTIC COMPOUNDS AADAC, SPOUT1, NRDC MAPT 4110/4885NOS1 1741/4885IDO1 1926/4885
US-20080027044-A1 Prodrug antibiotic screens O60361, PGLS, GUSB MAPT 4398/4885NOS1 615/4885IDO1 832/4885

“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.