SCHEMBL61078

SCHEMBL61078

Cc1cc([N+](=O)[O-])ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP3A4 P08684 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 3/20 0.41
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40
BLM P54132 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE7B Q9NP56 1/20 0.40
ADRB2 P07550 1/20 0.39

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
SCHEMBL62955 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL9687587 0.88 HTT (0.46) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL16098596 0.84 TDP1 (0.60) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL18359615 0.84 S1PR4 (0.48) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL1157615 0.84 HTT (0.54) ALDH1A1CYP3A4TDP1HTTBLM
SCHEMBL2076302 0.84 HTT (0.54) ALDH1A1TDP1HTTBLMMAPT
SCHEMBL6823722 0.82 HTT (0.59) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL6825987 0.82 HTT (0.59) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL15320736 0.81 S1PR4 (0.46) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL6823725 0.79 HTT (0.45) ALDH1A1CYP3A4TSHRHTTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170088538-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CYP3A4 102/4885TDP1 931/4885
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CYP3A4 102/4885TDP1 931/4885
US-20120252843-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CYP3A4 102/4885TDP1 931/4885
US-20120122865-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CYP3A4 102/4885TDP1 931/4885
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CYP3A4 102/4885TDP1 931/4885
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 ALDH1A1 674/4885CYP3A4 102/4885TDP1 931/4885

“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.