SCHEMBL61965

SCHEMBL61965

CSC(=N)Nc1ccc(C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
CA2 P00918 1/20 0.49
TSHR P16473 2/20 0.48
EPHX2 P34913 1/20 0.48
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.46

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
Iodide SCHEMBL60933 0.98 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
SCHEMBL2454941 0.86 EPHX1 (0.53) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
Iodide SCHEMBL2453858 0.84 EPHX1 (0.52) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
SCHEMBL18286554 0.79 GAA (0.57) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
SCHEMBL27699202 0.78 IDO1 (0.55) GAAALDH1A1LMNA
SCHEMBL7670022 0.77 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AHTTGAA
Iodide SCHEMBL6340120 0.76 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL16786027 0.76 TAS2R14 (0.44) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL8419944 0.75 GAA (0.61) SMN1; SMN2NPC1RAB9AHTTL3MBTL1
SCHEMBL20315920 0.75 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTL3MBTL1

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 34 patents — showing the first 20. 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
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-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-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-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
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US disclosed
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US disclosed
US-8129375-B2 Isoindoline compounds and methods of their use CELGENE CORPORATION (US) 2012-03-06 US disclosed
CN-102264720-A Isoindoline compounds for the treatment of cancer 2011-11-30 CN 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
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION 2010-08-12 US 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
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 (3 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 SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885
US-20100204227-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885
US-20160115161-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 SMN1; SMN2 997/4885NPC1 3/4885RAB9A 2154/4885

“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.