SCHEMBL2317852

SCHEMBL2317852

O=C(NC1CC1)c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.53
HDAC4 P56524 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK2 O43353 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HPGDS O60760 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
TTK P33981 2/20 0.40

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
SCHEMBL2319408 0.95 GABRA5 (0.56) GABRA5HDAC4HDAC6
SCHEMBL2321175 0.92 GABRA5 (0.54) GABRA5HDAC4RIPK2HPGDSHDAC6
SCHEMBL2320601 0.89 GABRA5 (0.57) GABRA5HPGDS
SCHEMBL2317260 0.87 GABRA5 (0.57) GABRA5HDAC4ESR1ESR2GPR119
SCHEMBL2472225 0.86 GABRA5 (0.51) GABRA5RAB9AMAPTKMT2AMEN1
SCHEMBL2324037 0.86 ESR1 (0.47) GABRA5RAB9ANPC1ESR1ESR2
SCHEMBL2317939 0.85 GABRA5 (0.46) GABRA5ESR1ESR2
SCHEMBL2318316 0.84 GABRA5 (0.60) GABRA5HDAC4HPGDSHDAC6
SCHEMBL2321221 0.84 ESR1 (0.46) GABRA5RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2322673 0.84 GABRA5 (0.47) GABRA5RAB9ANPC1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US claimed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 US claimed
EP-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 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-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885HDAC4 1839/4885RAB9A 1617/4885

“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.