SCHEMBL15230345

SCHEMBL15230345

O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1cn2ccsc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ADRB1 P08588 1/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
TLR9 Q9NR96 1/20 0.33

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 SCHEMBL15230492 0.99 CYP19A1 (0.36) CYP19A1NPC1RAB9ATP53ALDH1A1
Hypochlorous Acid SCHEMBL21486125 0.97 CYP19A1 (0.37) CYP19A1NPC1RAB9ATP53ALDH1A1
SCHEMBL16782218 0.96 CYP19A1 (0.39) CYP19A1NPC1RAB9ATP53ALDH1A1
Hydrochloric Acid SCHEMBL15228343 0.95 CYP19A1 (0.39) CYP19A1NPC1RAB9ATP53ALDH1A1
Hypochlorous Acid SCHEMBL21485993 0.94 CYP19A1 (0.40) CYP19A1NPC1RAB9ATP53ALDH1A1
SCHEMBL15230883 0.93 NPC1 (0.46) CYP19A1NPC1RAB9ATP53ALDH1A1
SCHEMBL15243927 0.86 CYP19A1 (0.38) CYP19A1NPC1RAB9ATP53ALDH1A1
SCHEMBL15228368 0.86 CYP19A1 (0.40) CYP19A1NPC1RAB9ATP53ALDH1A1
SCHEMBL15068780 0.84 SUV39H2 (0.40) CYP19A1NPC1RAB9ATP53ALDH1A1
SCHEMBL15230271 0.84 CYP19A1 (0.36) CYP19A1NPC1RAB9ATP53ALDH1A1

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 14 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-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
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 CYP19A1 3171/4885NPC1 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.