SCHEMBL5548164

SCHEMBL5548164

Cc1cccc(-c2n[c]on2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.49
NPC1 O15118 11/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
TP53 P04637 3/20 0.46
CASP3 P42574 3/20 0.45
SENP7 Q9BQF6 3/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
SENP6 Q9GZR1 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SENP8 Q96LD8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 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
SCHEMBL5551743 0.80 IDO1 (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL346441 0.80 TP53 (0.43) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL5551741 0.80 DYRK1A (0.56) RAB9ANPC1SMN1; SMN2TP53TDP1
SCHEMBL2207084 0.79 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL30206 0.78 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL2171160 0.76 CASP3 (0.47) RAB9ANPC1SMN1; SMN2CASP3HPGD
SCHEMBL28842353 0.75 SPHK2 (0.42) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL3766697 0.73 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL1567919 0.73 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL29040320 0.71 PDE4A (0.49) RAB9ANPC1SMN1; SMN2TP53TSHR

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-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US claimed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US claimed
WO-2000020414-A9 PIPERIDYLOXADIAZOLES AS DOPAMINE RECEPTOR ANTAGONISTS COMBICHEM INC (US) 2002-08-22 WO disclosed
WO-2000020414-A1 PIPERIDYLOXADIAZOLES AS DOPAMINE RECEPTOR ANTAGONISTS COMBICHEM, INC. (US) 2000-04-13 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-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 RAB9A 1704/4885NPC1 2702/4885SMN1; SMN2 2102/4885

“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.