SCHEMBL3481101

SCHEMBL3481101

Cn1ccc2cc(N3Cc4ccc(OC(F)(F)C(F)Cl)cc4C3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
DGAT1 O75907 3/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HTR2C P28335 2/20 0.33
CBLB Q13191 2/20 0.32
CHRNA7 P36544 1/20 0.32
HTR2A P28223 1/20 0.32
CACNA1H O95180 2/20 0.31
MAP3K5 Q99683 1/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
PRKCI P41743 1/20 0.31
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31
MCHR1 Q99705 2/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3663644 0.87 NPC1 (0.38) NPC1PKMRAB9ADGAT1HTR2C
SCHEMBL3481083 0.86 CACNA1H (0.39) NPC1PKMRAB9ADGAT1LMNA
SCHEMBL3481731 0.82 NPC1 (0.50) NPC1PKMRAB9APOLBHTR2C
SCHEMBL3481592 0.82 UGCG (0.39) NPC1PKMRAB9AHTR2CCHRNA7
SCHEMBL13113514 0.81 MAP3K5 (0.46) NPC1PKMRAB9ALMNAHTR2C
SCHEMBL3481078 0.79 MAPT (0.42) NPC1PKMRAB9ALMNAPOLB
SCHEMBL13113559 0.79 NPC1 (0.40) NPC1PKMRAB9ADGAT1HTR2C
SCHEMBL13113371 0.78 PKM (0.39) NPC1PKMRAB9ADGAT1LMNA
SCHEMBL13113499 0.77 PPARD (0.40) NPC1PKMRAB9AHTR2CHTR2A
SCHEMBL13113521 0.77 PPARD (0.42) NPC1PKMRAB9AHTR2CHTR2A

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 NPC1 1441/4885PKM 2023/4885RAB9A 985/4885

“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.