SCHEMBL12870525

SCHEMBL12870525

O=C(c1ccccc1)c1c[nH]c(C(=O)OCI)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 2/20 0.52
MAPK7 Q13164 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 5/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1149883 0.85 ALDH1A1 (0.55) ALDH1A1MAPTMAPK7KMT2AMEN1
SCHEMBL1149848 0.80 ALDH1A1 (0.69) ALDH1A1MAPTMAPK7KMT2AMEN1
SCHEMBL23452267 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL2419793 0.77 ALDH1A1 (0.68) ALDH1A1MAPTMAPK7KMT2AMEN1
SCHEMBL15452407 0.74 HTT (0.71) ALDH1A1MAPTMAPK7KMT2AMEN1
SCHEMBL12321357 0.74 ALDH1A1 (0.64) ALDH1A1MAPTMAPK7KMT2AMEN1
SCHEMBL10940346 0.73 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL18145 0.73 TDP1 (0.63) ALDH1A1KMT2AGAALMNACYP1A2
SCHEMBL5568378 0.72 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL31114557 0.72 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 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-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR ALDH1A1 3634/4885MAPT 1403/4885MAPK7 1326/4885

“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.