SCHEMBL18173530

SCHEMBL18173530

COc1cc(Br)cc(O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
APP P05067 2/20 0.42
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
MAOB P27338 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PIM1 P11309 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PAK1 Q13153 1/20 0.36
DPP4 P27487 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
SCHEMBL2384879 0.84 ERN1 (0.44) ERN1ALOX15ALOX12APPALOX5
SCHEMBL6541836 0.80 ERN1 (0.60) ERN1ALOX15ALOX12APPALOX5
SCHEMBL21614381 0.79 ESR1 (0.40) ERN1ALOX15ALOX12APPALOX5
SCHEMBL11142895 0.78 ERN1 (0.48) ERN1ALOX15ALOX12APPALOX5
SCHEMBL10943574 0.78 HPGD (0.50) ERN1ALOX15ALOX12APPMAOB
SCHEMBL19701751 0.78 ERN1 (0.40) ERN1ALOX15ALOX12APPGAA
SCHEMBL524860 0.77 NQO2 (0.44) ERN1ALOX15ALOX12APPGAA
SCHEMBL10935658 0.77 ACHE (0.48) ERN1ALOX12MAOBGAAALDH1A1
SCHEMBL30927163 0.77 ALOX15 (0.56) ERN1ALOX15ALOX12APPALOX5
SCHEMBL129971 0.77 ALOX15 (0.56) ERN1ALOX15ALOX12APPALOX5

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 7 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-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 4596/4885ALOX15 2068/4885ALOX12 2347/4885

“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.