SCHEMBL15580950

SCHEMBL15580950

[2H]C([2H])([2H])Oc1ccc(C#N)cc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.47
MRGPRX4 Q96LA9 1/20 0.42
ESRRA P11474 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
LRRK2 Q5S007 1/20 0.39
SNCA P37840 1/20 0.36
SSTR4 P31391 1/20 0.36
KDM1A O60341 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
S1PR1 P21453 1/20 0.35
SLC6A4 P31645 1/20 0.35
CFB P00751 1/20 0.34
TBXA2R P21731 1/20 0.34
HPGDS O60760 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL931494 0.86 AR (0.60) ARMRGPRX4ESRRAALDH1A1CYP2A6
SCHEMBL29686873 0.80 AR (0.54) ARMRGPRX4ESRRAALDH1A1SLC6A4
SCHEMBL1277294 0.76 AR (0.45) ARMRGPRX4ESRRAALDH1A1CYP2A6
SCHEMBL14499447 0.75 AR (0.49) ARESRRAKDM1AS1PR1
SCHEMBL6162573 0.74 AR (0.47) ARMRGPRX4ESRRAALDH1A1CYP2A6
SCHEMBL437358 0.74 TRPV4 (0.54) ARMRGPRX4ALDH1A1CYP2A6SSTR4
SCHEMBL10088433 0.74 AR (0.44) ARMRGPRX4ESRRAALDH1A1CYP2A6
SCHEMBL25196562 0.73 MRGPRX4 (0.50) ARMRGPRX4ESRRAALDH1A1CYP2A6
SCHEMBL16781415 0.73 AR (0.43) ARMRGPRX4ESRRAALDH1A1CYP2A6
SCHEMBL2637250 0.73 AR (0.43) ARMRGPRX4ESRRAALDH1A1CYP2A6

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-9434689-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2016-09-06 US disclosed
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF AMGEN INC. 2015-07-02 US disclosed
US-8981117-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2015-03-17 US disclosed
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF CELGENE CORPORATION (US) 2014-03-20 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 (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-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 AR 925/4885MRGPRX4 3711/4885ESRRA 2986/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 AR 925/4885MRGPRX4 3711/4885ESRRA 2986/4885

“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.