SCHEMBL10061327

SCHEMBL10061327

COc1c(C)cccc1C(=O)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.70
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
KCNK3 O14649 3/20 0.61
KCNK9 Q9NPC2 3/20 0.61
KMT2A Q03164 2/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
TP53 P04637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NR1H4 Q96RI1 1/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
TYK2 P29597 1/20 0.54

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
SCHEMBL19442276 0.86 MAPT (0.59) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL20995719 0.86 NPC1 (0.53) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL27739490 0.86 RAB9A (0.76) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL7959090 0.84 TP53 (0.55) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL30739653 0.84 NPC1 (0.62) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL24118812 0.84 NPC1 (0.62) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL21993 0.83 HPGD (1.00) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL4138863 0.81 HPGD (0.77) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL11843580 0.81 BCAT2 (0.56) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL7764478 0.80 HPGD (0.74) HPGDKCNK3KCNK9KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447027-B2 Treating long QT syndrome THE GENERAL HOSPITAL CORPORATION (US) 2016-09-20 US disclosed
US-9447027-B2 Treating long QT syndrome THE GENERAL HOSPITAL CORPORATION (US) 2016-09-20 US disclosed
US-20130310351-A1 Treating Long QT Syndrome THE GENERAL HOSPITAL CORPORATION (US) 2013-11-21 US disclosed
WO-2012054718-A2 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2012-04-26 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-20130310351-A1 Treating Long QT Syndrome TNNI3, TNNT2, TNNC1 HPGD 1160/4885NPC1 1603/4885RAB9A 1007/4885

“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.