SCHEMBL20031029

SCHEMBL20031029

CCCCC(C)(CC)c1ncc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR8 Q9NR97 1/20 0.34
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL19425824 0.93 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HSD17B10TLR8
SCHEMBL21401193 0.89 NPC1 (0.34) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL23583995 0.88 NPC1 (0.38) NPC1RAB9ASMN1; SMN2HSD17B10TLR8
SCHEMBL22930725 0.87 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10TLR8
SCHEMBL21398242 0.86 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HSD17B10TLR8
SCHEMBL22930813 0.86 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HSD17B10TLR8
SCHEMBL18474327 0.82 TLR8 (0.34) TLR8
SCHEMBL22488080 0.81 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HSD17B10TLR8
SCHEMBL22594525 0.79 TLR8 (0.33) TLR8
SCHEMBL19425843 0.77 CNR2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 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-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 NPC1 3692/4885RAB9A 4696/4885SMN1; SMN2 3644/4885

“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.