SCHEMBL15230288

SCHEMBL15230288

O=c1oc2nc(N3CCNCC3)ccc2cc1-c1cn2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
MAPT P10636 7/20 0.58
PKM P14618 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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 SCHEMBL15230367 0.99 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AMAPTPKM
Hypochlorous Acid SCHEMBL21486121 0.97 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL16782210 0.96 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AMAPTPKM
Hydrochloric Acid SCHEMBL15230411 0.95 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMAPTPKM
Hypochlorous Acid SCHEMBL21486014 0.94 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL15230883 0.88 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL15228423 0.88 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL16782228 0.87 NPC1 (0.53) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL16782215 0.87 NPC1 (0.53) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL15231047 0.86 RAB9A (0.58) ALDH1A1NPC1RAB9AMAPTPKM

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 12 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
WO-2013130689-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-09-06 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-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.