SCHEMBL3057626

SCHEMBL3057626

CNc1ccc(Oc2ccc3cc(C(=O)O)n(C)c3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
PPARG P37231 4/20 0.42
MCL1 Q07820 2/20 0.42
CHRNA7 P36544 2/20 0.41
SRD5A2 P31213 1/20 0.41
GPR35 Q9HC97 1/20 0.39
PKM P14618 1/20 0.39
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38
P2RX3 P56373 2/20 0.37
SCN9A Q15858 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL3064010 0.91 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3063496 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3056921 0.84 CCR9 (0.41) ALDH1A1GFERPPARGMCL1CHRNA7
SCHEMBL3062332 0.82 KCNQ3 (0.48) KDM4ECHRNA7PKMGALR3GAA
SCHEMBL3063119 0.82 GAA (0.58) KDM4ESMN1; SMN2PKMGALR3GAA
SCHEMBL3705800 0.82 CHRNA7 (0.45) GFERPPARGCHRNA7PKMP2RX3
SCHEMBL3061602 0.81 RAB9A (0.50) SMN1; SMN2CHRNA7PKMGALR3GAA
SCHEMBL3060046 0.80 STAT3 (0.44) SCN9A
SCHEMBL3064436 0.79 PPARG (0.40) KDM4EGFERPPARGCHRNA7SRD5A2
SCHEMBL3062123 0.78 PPARG (0.40) ALDH1A1GFERPPARGMCL1CHRNA7

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 KDM4E 2634/4885ALDH1A1 741/4885HPGD 263/4885

“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.