SCHEMBL4286553

SCHEMBL4286553

[O]C1Nc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
CREBBP Q92793 2/20 0.42
BRD4 O60885 1/20 0.42
ALOX5 P09917 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYB5R3 P00387 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
CA2 P00918 1/20 0.33
BRPF1 P55201 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8651078 0.76 GAA (0.57) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL12984932 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL3913009 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL19442758 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL6097826 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL23722589 0.73 PARP1 (0.50) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL7063218 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL5830221 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL6097831 0.73 PARP1 (0.50) PARP1CREBBPBRD4ALOX5MEN1
SCHEMBL476800 0.73 PARP1 (0.41) PARP1CREBBPBRD4ALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885CREBBP 1136/4885BRD4 367/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885CREBBP 1136/4885BRD4 367/4885

“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.