SCHEMBL3663644

SCHEMBL3663644

Cn1ccc2cc(N3Cc4ccc(OC(F)(F)Br)cc4C3=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PKM P14618 2/20 0.38
DGAT1 O75907 2/20 0.35
PRKCI P41743 1/20 0.34
CHRNA7 P36544 2/20 0.34
HTR2C P28335 2/20 0.33
MAP3K5 Q99683 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP2A6 P11509 1/20 0.32
HTR2A P28223 1/20 0.32
CACNA1H O95180 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL3481101 0.87 NPC1 (0.35) NPC1RAB9APKMDGAT1PRKCI
SCHEMBL3481083 0.86 CACNA1H (0.39) NPC1RAB9APKMDGAT1PRKCI
SCHEMBL3481731 0.86 NPC1 (0.50) NPC1RAB9APKMPRKCIHTR2C
SCHEMBL3481592 0.86 UGCG (0.39) NPC1RAB9APKMCHRNA7HTR2C
SCHEMBL3481078 0.83 MAPT (0.42) NPC1RAB9APKMPRKCIHTR2C
SCHEMBL13113514 0.83 MAP3K5 (0.46) NPC1RAB9APKMPRKCIHTR2C
SCHEMBL13113559 0.83 NPC1 (0.40) NPC1RAB9APKMDGAT1PRKCI
SCHEMBL13113521 0.81 PPARD (0.42) NPC1RAB9APKMHTR2CMAP3K5
SCHEMBL13113499 0.81 PPARD (0.40) NPC1RAB9APKMHTR2CMAP3K5
SCHEMBL13113529 0.81 PRKCI (0.39) NPC1RAB9APKMPRKCICHRNA7

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 6 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
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 1441/4885RAB9A 985/4885PKM 2023/4885

“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.