SCHEMBL13820045

SCHEMBL13820045

CC(c1noc(-c2ccccn2)n1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
RAB9A P51151 11/20 0.45
NPC1 O15118 11/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 9/20 0.44
PKM P14618 9/20 0.44
TP53 P04637 8/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MITF O75030 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL9963216 0.84 HTT (0.55) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL13827644 0.79 HSD17B10 (0.47) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL443469 0.75 HTT (0.72) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL17225287 0.73 HTT (0.45) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL17225292 0.73 HTT (0.45) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL17225312 0.73 HTT (0.45) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL30212256 0.73 RAB9A (0.55) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL8360130 0.73 RAB9A (0.55) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL1424895 0.72 TP53 (0.77) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL17225320 0.72 KDM4E (0.46) HTTRAB9ANPC1POLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 HTT 891/4885RAB9A 1191/4885NPC1 1180/4885

“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.