SCHEMBL3481592

SCHEMBL3481592

Cn1ccc2cc(N3Cc4ccc(OCC(F)(F)F)cc4C3=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 5/20 0.39
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2C P28335 3/20 0.36
CHRNA7 P36544 4/20 0.36
HTR2A P28223 1/20 0.35
DRD2 P14416 2/20 0.34
CHRNB2 P17787 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA4 P43681 1/20 0.34
ADAM17 P78536 1/20 0.34
MCHR1 Q99705 2/20 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
SCHEMBL3481078 0.88 MAPT (0.42) PPARDPPARANPC1PKMRAB9A
SCHEMBL3663644 0.86 NPC1 (0.38) NPC1PKMRAB9AHTR2CCHRNA7
SCHEMBL13113499 0.86 PPARD (0.40) PPARDPPARANPC1PKMRAB9A
SCHEMBL13113521 0.86 PPARD (0.42) PPARDPPARANPC1PKMRAB9A
SCHEMBL3481731 0.84 NPC1 (0.50) NPC1PKMRAB9AHTR2CHTR2A
SCHEMBL13113559 0.83 NPC1 (0.40) NPC1PKMRAB9AHTR2CCHRNA7
SCHEMBL3481083 0.82 CACNA1H (0.39) PPARDPPARANPC1PKMRAB9A
SCHEMBL3481101 0.82 NPC1 (0.35) NPC1PKMRAB9AHTR2CCHRNA7
SCHEMBL13113514 0.81 MAP3K5 (0.46) NPC1PKMRAB9AHTR2CDRD2
SCHEMBL13113529 0.80 PRKCI (0.39) UGCGNPC1PKMRAB9AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 EP disclosed
EP-2573080-A1 Isoindoline compounds for the treatment of spinal muscular atrophy and other uses The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
EP-2215074-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2010-08-11 EP disclosed
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 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 (1 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-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT UGCG 3568/4885PPARD 3211/4885PPARA 2997/4885

“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.