SCHEMBL18173535

SCHEMBL18173535

COc1cc(-c2ccco2)cc(O)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.57
SMPD3 Q9NY59 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
ADORA2A P29274 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL2389984 0.89 ERN1 (0.56) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL2387255 0.82 ERN1 (0.73) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL2389780 0.77 ERN1 (0.57) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL2388588 0.77 MAPT (0.64) ERN1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL2388856 0.77 MAPT (0.53) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL17471104 0.76 ERN1 (0.45) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL12330908 0.76 ERN1 (0.56) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL2385897 0.76 ERN1 (0.56) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL2387527 0.76 ERN1 (0.56) ERN1SMPD3MEN1KMT2ASMN1; SMN2
SCHEMBL18173532 0.74 ERN1 (0.43) ERN1SMPD3MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285760-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2018-02-28 EP disclosed
US-9879002-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-01-30 US disclosed
US-9879002-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-01-30 US disclosed
US-9879002-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-01-30 US disclosed
CN-107530313-A PDE10 inhibitor and compositions related and method 奥默罗斯公司 2018-01-02 CN disclosed
US-20170022190-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-01-26 US disclosed
US-20170022190-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-01-26 US disclosed
WO-2016172573-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2016-10-27 WO disclosed
WO-2016172573-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2016-10-27 WO 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-20170022190-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ERN1 4596/4885SMPD3 182/4885MEN1 3164/4885

“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.