SCHEMBL315546

SCHEMBL315546

Cc1noc(-c2c[c]ccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.36
TP53 P04637 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 4/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8360130 0.75 RAB9A (0.55) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30212256 0.75 RAB9A (0.55) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL315937 0.72 L3MBTL1 (0.43) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL62127 0.72 ACHE (0.50) ACHETP53NPC1RAB9ASMN1; SMN2
SCHEMBL8360178 0.71 NPC1 (0.46) ACHECNR2TP53NPC1RAB9A
SCHEMBL12348316 0.70 ACHE (0.50) ACHETP53NPC1RAB9ASMN1; SMN2
SCHEMBL1450328 0.70 KDM4E (0.36) TP53NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3157061 0.68 ACHE (0.41) ACHECNR2TP53NPC1RAB9A
SCHEMBL17055753 0.68 ACHE (0.45) ACHECNR2TP53NPC1RAB9A
SCHEMBL17109497 0.68 MAPT (0.48) ACHECNR2TP53NPC1RAB9A

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ACHE 1406/4885CNR2 130/4885TP53 4843/4885

“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.