SCHEMBL15230328

SCHEMBL15230328

O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1cn2cccc(F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRKCQ Q04759 2/20 0.37
CASP1 P29466 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PIM1 P11309 3/20 0.35
PIM3 Q86V86 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
Hydrochloric Acid SCHEMBL16782251 0.99 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
Hypochlorous Acid SCHEMBL21486107 0.97 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL16782278 0.96 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL15231098 0.90 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL16782262 0.89 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
Hypochlorous Acid SCHEMBL21486119 0.88 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL15230112 0.87 NPC1 (0.36) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL15230358 0.86 NPC1 (0.35) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL15230307 0.86 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AKDM4EL3MBTL1
SCHEMBL16782271 0.85 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP claimed
US-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US claimed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 US claimed
EP-2819519-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-07 EP claimed
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 WO claimed
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP disclosed
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP disclosed
US-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 US disclosed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 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-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ALDH1A1 1461/4885NPC1 975/4885RAB9A 1728/4885

“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.