SCHEMBL14758331

SCHEMBL14758331

COc1cccc(Nc2nc(N)c3ccccc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.68
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
TAAR1 Q96RJ0 4/20 0.65
TP53 P04637 4/20 0.65
TSHR P16473 3/20 0.65
PKM P14618 3/20 0.65
ALOX15 P16050 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NFKB1 P19838 1/20 0.65
MAPK1 P28482 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
KMT2A Q03164 7/20 0.64
MEN1 O00255 5/20 0.64
KDM4E B2RXH2 2/20 0.64
HSD17B10 Q99714 1/20 0.64
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL8889167 0.85 NPY5R (0.76) NPC1RAB9ATAAR1TSHRSMN1; SMN2
SCHEMBL22080077 0.85 NPC1 (0.72) SLC2A1NPC1RAB9ATAAR1TP53
Hydrochloric Acid SCHEMBL8907425 0.84 HTT (0.75) NPC1RAB9ATAAR1TSHRSMN1; SMN2
SCHEMBL8891851 0.84 NPY5R (0.78) NPC1RAB9ATAAR1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL8899399 0.83 NPY5R (0.76) NPC1RAB9ATAAR1SMN1; SMN2MAPK1
SCHEMBL16217098 0.82 SLC2A1 (0.97) SLC2A1NPC1RAB9ATAAR1TP53
SCHEMBL4544861 0.81 KCNH3 (0.70) NPC1RAB9ATAAR1TP53TSHR
SCHEMBL4544834 0.81 KCNH3 (0.70) NPC1RAB9ATAAR1TP53TSHR
SCHEMBL29357942 0.81 NPC1 (0.96) SLC2A1NPC1RAB9ATAAR1TP53
SCHEMBL4486503 0.81 NPC1 (0.96) SLC2A1NPC1RAB9ATAAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 SLC2A1 3871/4885NPC1 57/4885RAB9A 1779/4885

“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.