SCHEMBL14739742

SCHEMBL14739742

O=c1[nH]ccc2c1CC(=S)N2Cc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 2/20 0.31
PARP1 P09874 1/20 0.31
TBXAS1 P24557 2/20 0.31
HTR1A P08908 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL14739684 0.76 CYP1B1 (0.37) TAAR1FNTAFNTB
SCHEMBL14740374 0.72 KDM4E (0.39) PARP1
SCHEMBL14740299 0.71 BCHE (0.46)
SCHEMBL19732567 0.68 TAAR1 (0.46) ALOX15TAAR1HTR1AFNTAFNTB
SCHEMBL1536813 0.68 MPO (0.46) HTR1A
SCHEMBL29584855 0.64 ALDH1A1 (0.54) ALOX15TAAR1HTR1A
SCHEMBL1536649 0.62 MPO (0.54)
SCHEMBL10643092 0.62 ALOX15 (0.49) ALOX15TAAR1HTR1AFNTAFNTB
SCHEMBL15329166 0.60 ALOX15 (1.00) ALOX15TAAR1PARP1EGLN1
SCHEMBL1953418 0.58 ALOX15 (0.85) ALOX15TAAR1PARP1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2015-04-09 US claimed
US-8859568-B2 Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2014-10-14 US claimed
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 (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-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH ALOX15 267/4885TAAR1 2653/4885PARP1 741/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT ALOX15 2414/4885TAAR1 3774/4885PARP1 1130/4885

“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.