SCHEMBL286206

SCHEMBL286206

COC(=O)c1cc(/C=C/c2c(-c3ccc(F)cc3)noc2C)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GABRA5 P31644 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALPL P05186 4/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
MAP2K4 P45985 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
PTGS2 P35354 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL286207 1.00 LMNA (0.46) LMNAGABRA5KDM4EALPLMAPT
SCHEMBL286109 0.88 ALPL (0.48) LMNAGABRA5KDM4EALPLPOLB
SCHEMBL286110 0.88 ALPL (0.48) LMNAGABRA5KDM4EALPLPOLB
SCHEMBL285882 0.88 KDM4E (0.43) LMNAGABRA5KDM4EALPLRAB9A
SCHEMBL285881 0.88 KDM4E (0.43) LMNAGABRA5KDM4EALPLRAB9A
SCHEMBL286002 0.87 GABRA5 (0.46) LMNAGABRA5KDM4EALPLMAPT
SCHEMBL286004 0.87 GABRA5 (0.46) LMNAGABRA5KDM4EALPLMAPT
SCHEMBL286286 0.86 KDM4E (0.39) LMNAGABRA5KDM4EALPLPOLB
SCHEMBL286279 0.85 KDM4E (0.45) GABRA5KDM4EGAAPTGS2TSHR
SCHEMBL286278 0.85 KDM4E (0.45) GABRA5KDM4EGAAPTGS2TSHR

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 LMNA 4073/4885GABRA5 1/4885KDM4E 2372/4885

“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.