SCHEMBL2432958

SCHEMBL2432958

COc1c(C)cc(Br)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AR P10275 5/20 0.34
S1PR1 P21453 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL31287360 1.00 GPR35 (0.38) GPR35TSHRKDM4EPKMUSP2
SCHEMBL2390290 0.81 ALOX15 (0.43) GPR35KDM4EUSP2ALDH1A1AR
SCHEMBL31500472 0.79 KDM4E (0.41) GPR35KDM4EUSP2ALDH1A1AR
SCHEMBL31260588 0.79 SRC (0.37) GPR35KDM4EUSP2ALDH1A1HSD17B10
SCHEMBL504735 0.79 GPR35 (0.37) GPR35KDM4EUSP2ALDH1A1AR
SCHEMBL31267048 0.79 GPR35 (0.37) GPR35KDM4EUSP2ALDH1A1AR
SCHEMBL26927280 0.79 KDM4E (0.41) GPR35KDM4EUSP2ALDH1A1AR
SCHEMBL363341 0.79 KDM4E (0.45) KDM4EPKMUSP2ALDH1A1HSD17B10
SCHEMBL28975511 0.77 TSHR (0.38) GPR35TSHRKDM4EUSP2ALDH1A1
SCHEMBL25514816 0.77 KDM4E (0.50) TSHRKDM4EUSP2ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR35 1444/4885TSHR 4613/4885KDM4E 4149/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA GPR35 974/4885TSHR 4745/4885KDM4E 4394/4885

“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.