SCHEMBL2587833

SCHEMBL2587833

Fc1ccc(-c2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.60
ESR1 P03372 5/20 0.53
ESR2 Q92731 5/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
UTRN P46939 2/20 0.51
GPR119 Q8TDV5 3/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HSPD1 P10809 2/20 0.44
PTPN2 P17706 2/20 0.44

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
SCHEMBL24038197 0.90 HDAC6 (0.57) HDAC6ESR1ESR2MAPTNPC1
SCHEMBL23387567 0.90 NPC1 (0.59) HDAC6ESR1ESR2MAPTNPC1
SCHEMBL25625041 0.87 HDAC6 (0.55) HDAC6ESR1ESR2MAPTNPC1
SCHEMBL4057301 0.87 HDAC6 (0.47) HDAC6ESR1ESR2MAPTNPC1
SCHEMBL28173331 0.86 HDAC6 (0.62) HDAC6ESR1ESR2MAPTNPC1
SCHEMBL2582987 0.84 ESR2 (0.76) HDAC6ESR1ESR2MAPTNPC1
SCHEMBL23999977 0.84 NPC1 (0.76) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL2582851 0.84 NPC1 (0.63) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL25498956 0.84 NPC1 (0.55) ESR1ESR2MAPTNPC1RAB9A
SCHEMBL2139699 0.83 SMN1; SMN2 (0.57) HDAC6ESR1ESR2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 HDAC6 2928/4885ESR1 429/4885ESR2 387/4885

“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.