SCHEMBL61072

SCHEMBL61072

Cc1ccc(N)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CASP1 P29466 3/20 0.41
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
PDE10A Q9Y233 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
NR4A1 P22736 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
RAB9A P51151 2/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33

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
SCHEMBL60596 0.86 ALDH1A1 (0.42) ALDH1A1CASP1TSHRCYP3A4PDE10A
SCHEMBL9687075 0.85 ALDH1A1 (0.37) ALDH1A1CASP1TSHRMAPTGAA
SCHEMBL26617408 0.82 GAA (0.34) ALDH1A1TSHRPDE10AMAPTGAA
SCHEMBL2076161 0.81 KDM4E (0.49) ALDH1A1TSHRCYP3A4MAPTGAA
SCHEMBL30189749 0.81 KDM4E (0.45) ALDH1A1TSHRCYP3A4MAPTGAA
SCHEMBL1157653 0.81 KDM4E (0.45) ALDH1A1TSHRCYP3A4MAPTGAA
SCHEMBL23226669 0.80 ALDH1A1 (0.43) ALDH1A1CASP1TSHRCYP3A4MAPT
SCHEMBL6940385 0.80 EDNRB (0.36) ALDH1A1L3MBTL1MAPK1CA12CA1
SCHEMBL14573872 0.79 FFAR1 (0.38) SMN1; SMN2HTTCA12CA1CA9
SCHEMBL17782690 0.77 MEN1 (0.41) ALDH1A1CASP1TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354646-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2018-08-01 EP disclosed
EP-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 EP disclosed
US-9796698-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-10-24 US disclosed
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2017-03-30 US disclosed
US-9550766-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2017-01-24 US disclosed
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2016-04-28 US disclosed
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP disclosed
US-9227954-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2016-01-05 US disclosed
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2013-02-21 US disclosed
US-8318773-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-11-27 US disclosed
US-20120252843-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2012-10-04 US disclosed
US-8222249-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-07-17 US disclosed
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2012-05-17 US disclosed
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US disclosed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP disclosed
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2010-08-12 US disclosed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO disclosed
US-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins CERNOFINA, LLC 2009-05-14 US disclosed
US-7479571-B2 Generation of combinatorial synthetic libraries and screening for novel proadhesins and nonadhesins CERNOFINA, LLC (US) 2009-01-20 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 (7 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-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins SELP, SELE, SELPLG ALDH1A1 1723/4885CASP1 4533/4885TSHR 1794/4885
US-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CASP1 2336/4885TSHR 4298/4885
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CASP1 2336/4885TSHR 4298/4885
US-20120252843-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CASP1 2336/4885TSHR 4298/4885
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CASP1 2336/4885TSHR 4298/4885
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CASP1 2336/4885TSHR 4298/4885
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CASP1 2336/4885TSHR 4298/4885

“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.