SCHEMBL2582851

SCHEMBL2582851

Cc1ccc(-c2nc3ccc(Br)cc3o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.63
RAB9A P51151 10/20 0.63
SMN1; SMN2 Q16637 11/20 0.61
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 8/20 0.61
HPGD P15428 8/20 0.61
HSD17B10 Q99714 5/20 0.61
TP53 P04637 5/20 0.61
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
MAPT P10636 10/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL30545875 0.90 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28629954 0.90 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23387567 0.90 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2245900 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11551873 0.86 NPC1 (0.81) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12408905 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2592335 0.84 GPR119 (0.51) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2582987 0.84 ESR2 (0.76) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23999977 0.84 NPC1 (0.76) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2587833 0.84 HDAC6 (0.60) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 NPC1 2612/4885RAB9A 1318/4885SMN1; SMN2 3910/4885

“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.