SCHEMBL3967537

SCHEMBL3967537

CC(=O)c1cccc2c(Br)c(C)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ERAP1 Q9NZ08 2/20 0.38
BRPF1 P55201 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CREBBP Q92793 1/20 0.36
MCL1 Q07820 2/20 0.35
TSHR P16473 1/20 0.35
PRKDC P78527 1/20 0.34
KMT2A Q03164 2/20 0.34
PBRM1 Q86U86 1/20 0.34
MEN1 O00255 1/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3965291 0.84 KMT2A (0.44) ERAP1MAPTKDM4EALDH1A1HPGD
SCHEMBL3966568 0.79 ERAP1 (0.34) GAAERAP1MAPTLMNATSHR
SCHEMBL30889662 0.79 LMNA (0.41) GAABRPF1MAOAMAOBMAPT
SCHEMBL3966563 0.76 ESR1 (0.40) ERAP1MAPTKDM4EALDH1A1HPGD
SCHEMBL14825579 0.72 ALOX5 (0.48) MAOAMAOBMAPTKDM4EALDH1A1
SCHEMBL9654588 0.72 MAOA (0.48) MAOAMAOBMAPTTP53CREBBP
SCHEMBL10550563 0.72 GAA (0.50) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL7829502 0.72 ALDH1A1 (0.39) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL15842711 0.71 MAOB (0.44) MAOAMAOBMAPTKDM4EALDH1A1
SCHEMBL3966415 0.70 ALDH1A1 (0.31) GAAMAOAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 GAA 3781/4885ERAP1 558/4885BRPF1 1341/4885

“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.