SCHEMBL5553573

SCHEMBL5553573

Cc1ccccc1-c1n[c]no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.52
NPC1 O15118 14/20 0.52
SMN1; SMN2 Q16637 12/20 0.52
CASP3 P42574 3/20 0.52
SENP8 Q96LD8 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
SENP6 Q9GZR1 3/20 0.52
TSHR P16473 4/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOTUM Q6P988 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41

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
SCHEMBL1946632 0.77 NPC1 (0.52) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4773008 0.77 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL242857 0.77 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TSHRHPGD
SCHEMBL5551673 0.73 NOTUM (0.50) TSHRALDH1A1NOTUML3MBTL1MAPK1
SCHEMBL795461 0.71 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TSHRHPGD
SCHEMBL7756394 0.69 RAB9A (1.00) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL5552360 0.68 NPC1 (0.42) RAB9ANPC1SMN1; SMN2TSHRHPGD
SCHEMBL5552349 0.67 RAB9A (0.50) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL8362955 0.67 NPC1 (0.58) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL28325888 0.67 RAB9A (0.53) RAB9ANPC1SMN1; SMN2CASP3SENP8

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-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

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.