SCHEMBL15230271

SCHEMBL15230271

C[C@H]1CN(c2ccc3cc(-c4cn5ccsc5n4)c(=O)oc3n2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
NPC1 O15118 8/20 0.34
RAB9A P51151 8/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 5/20 0.34
MAPT P10636 4/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
PRKCQ Q04759 3/20 0.33
PRKCD Q05655 1/20 0.33
ZAP70 P43403 3/20 0.33
LMNA P02545 2/20 0.32
PKM P14618 2/20 0.32

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
SCHEMBL15228441 1.00 CYP19A1 (0.36) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15228344 0.99 CYP19A1 (0.35) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15228454 0.99 CYP19A1 (0.35) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
Hypochlorous Acid SCHEMBL21486083 0.97 CYP19A1 (0.36) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
Hypochlorous Acid SCHEMBL21486023 0.97 CYP19A1 (0.36) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21515516 0.88 CYP19A1 (0.36) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16782218 0.87 CYP19A1 (0.39) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15228343 0.86 CYP19A1 (0.39) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15065965 0.85 MAPT (0.37) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15065783 0.85 MAPT (0.37) CYP19A1NPC1RAB9AALDH1A1SMN1; SMN2

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 10 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-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
EP-2819519-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2015-01-07 EP 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.