SCHEMBL2583099

SCHEMBL2583099

Fc1ccccc1-c1nc2ccc(Br)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
GPR119 Q8TDV5 1/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.49
C1R P00736 1/20 0.49
ESR1 P03372 4/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
APEX1 P27695 1/20 0.46
ESR2 Q92731 3/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45

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
SCHEMBL31048585 0.84 KDM4E (0.51) SMN1; SMN2GPR119MAPTKDM4EKMT2A
SCHEMBL31048496 0.80 KDM4E (0.61) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL3257379 0.80 KDM4E (0.61) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL20528738 0.80 C1R (0.70) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL4055188 0.78 GPR119 (0.55) SMN1; SMN2GPR119MAPTKDM4EKMT2A
SCHEMBL2139699 0.78 SMN1; SMN2 (0.57) SMN1; SMN2GPR119MAPTKDM4EKMT2A
SCHEMBL1675530 0.77 MAOA (0.56) SMN1; SMN2GPR119MAPTKDM4EKMT2A
SCHEMBL18863828 0.76 PDCD1 (0.50) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL29894449 0.76 PDCD1 (0.50) SMN1; SMN2MAPTKDM4EKMT2AMEN1
SCHEMBL14695549 0.76 PTGS2 (0.45) GPR119MAPTKDM4EKMT2AMEN1

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 SMN1; SMN2 3910/4885GPR119 2/4885MAPT 2190/4885

“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.