SCHEMBL286035

SCHEMBL286035

CCCCc1noc(CO)c1COc1cc(C(=O)OC)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.34
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
AGTR1 P30556 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL286484 0.90 NR1H4 (0.37) GABRA5NR1H4
SCHEMBL286377 0.89 GABRA5 (0.39) GABRA5L3MBTL1ALDH1A1HTTAGTR1
SCHEMBL286102 0.86 KDM5A (0.32) GABRA5KDM5AKDM4CKDM5BCA12
SCHEMBL286326 0.85 GABRA5 (0.37) GABRA5
SCHEMBL285995 0.84 GABRA5 (0.43) GABRA5ALDH1A1
SCHEMBL296107 0.80 GABRA5 (0.36) GABRA5CA12CA1CA2CA9
SCHEMBL286369 0.80 NR1H4 (0.40) GABRA5L3MBTL1HTTNR1H4
SCHEMBL286143 0.78 ALDH1A1 (0.35) GABRA5L3MBTL1ALDH1A1LMNANR1H4
SCHEMBL286142 0.78 GABRA1 (0.43) GABRA5
SCHEMBL535818 0.78 GABRA5 (0.51) GABRA5

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-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885KDM5A 791/4885KDM4C 2774/4885

“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.