SCHEMBL13113333

SCHEMBL13113333

CCCn1ccc2ccc(N3Cc4ccc(OC)cc4C3=O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
MTNR1A P48039 6/20 0.45
MTNR1B P49286 6/20 0.45
HTR2C P28335 2/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.44
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAM17 P78536 2/20 0.39
GRM2 Q14416 1/20 0.39
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL13113282 0.93 NPC1 (0.46) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL13113352 0.91 NPC1 (0.45) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL3481095 0.91 NPC1 (0.45) NPC1RAB9APKMMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3481287 0.90 NPC1 (0.44) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL13113367 0.88 NPC1 (0.46) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL3481901 0.86 NPC1 (0.50) NPC1RAB9APKMHTR2CHTR2A
SCHEMBL3481186 0.86 NPC1 (0.44) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL13113446 0.86 MTNR1A (0.66) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL13113315 0.83 NPC1 (0.46) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL13113311 0.81 NPC1 (0.47) NPC1RAB9APKMMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.