SCHEMBL2429318

SCHEMBL2429318

COc1c(C)c[c]cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
AR P10275 4/20 0.33
IMPDH2 P12268 2/20 0.32
IMPDH1 P20839 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
GPR35 Q9HC97 1/20 0.30
S1PR1 P21453 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
SCHEMBL29760 0.79 ACHE (0.36) KDM4EALDH1A1
SCHEMBL945660 0.79 ALDH1A1 (0.40) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL15390519 0.78 CYP11B1 (0.33) ARIMPDH2IMPDH1KDM4EUSP2
SCHEMBL457197 0.73 TSHR (0.41) TSHRAR
SCHEMBL4158740 0.71 ACHE (0.41) ALDH1A1
SCHEMBL10070159 0.71 TSHR (0.61) TSHRARIMPDH2IMPDH1KDM4E
SCHEMBL2433615 0.71
SCHEMBL5475365 0.70 TDP1 (0.39)
SCHEMBL2289413 0.70 CA2 (0.41)
SCHEMBL2284682 0.70 ACHE (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US claimed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US claimed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 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-20100125082-A1 NEW COMPOUNDS 578 PSEN1, PSEN2, BACE1 TSHR 4613/4885AR 4107/4885IMPDH2 4310/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA TSHR 4745/4885AR 3375/4885IMPDH2 1858/4885

“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.