SCHEMBL1436664

SCHEMBL1436664

CCCOc1ccc(-c2cc(CC(=O)O)on2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGS2 P35354 3/20 0.43
PPARD Q03181 3/20 0.39
ACACB O00763 2/20 0.39
PTPN11 Q06124 2/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PDK2 Q15119 1/20 0.38
ACACA Q13085 1/20 0.37

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
SCHEMBL1509457 0.89 PDK2 (0.38) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1509420 0.88 SMN1; SMN2 (0.36) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1509418 0.88 THRA (0.36) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1509398 0.87 VHL (0.46) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1509422 0.87 SMN1; SMN2 (0.37) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1509440 0.85 HDAC4 (0.41) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1437847 0.85 PDK2 (0.41) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3718958 0.84 ACACB (0.39) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1509405 0.82 ALK (0.37) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1436505 0.82 PPARG (0.42) MAPTKDM4EMEN1ALDH1A1KMT2A

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-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections LEIVERS MARTIN 2011-03-03 US disclosed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 US disclosed
WO-2011026091-A1 IMIDAZOPYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 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 (2 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-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections ACE, ACE2, TPMT MAPT 1421/4885KDM4E 3192/4885MEN1 3842/4885
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections MAVS, ZC3HAV1, IL5 MAPT 1121/4885KDM4E 1352/4885MEN1 3833/4885

“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.