SCHEMBL22276765

SCHEMBL22276765

c1ccc(Oc2ccc(-c3c[nH]nn3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LTA4H P09960 6/20 0.46
SCN4A P35499 2/20 0.46
XDH P47989 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TSHR P16473 1/20 0.44
MCL1 Q07820 3/20 0.44
NISCH Q9Y2I1 1/20 0.44
GSTP1 P09211 1/20 0.43
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
MAOA P21397 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6164256 0.84 MAOB (0.42) NPC1RAB9ALTA4HTSHRGSTP1
SCHEMBL12989702 0.84 AKT1 (0.48) NPC1RAB9AXDHALDH1A1
SCHEMBL9868 0.84 AKT1 (0.46) NPC1RAB9ATSHRALDH1A1
SCHEMBL23457624 0.84 LTA4H (0.50) LTA4HMAOA
SCHEMBL28531472 0.82 AKT1 (0.45) NPC1RAB9ATSHRALDH1A1
SCHEMBL6741233 0.82 AKT1 (0.45) NPC1RAB9ATSHRALDH1A1
SCHEMBL13078874 0.82 METAP2 (0.32) NPC1RAB9A
Chloromethane SCHEMBL27566997 0.79 AKT1 (0.42) NPC1RAB9ATSHRALDH1A1
SCHEMBL27586213 0.79 AKT1 (0.42) NPC1RAB9ATSHR
SCHEMBL1186713 0.78 RAB9A (0.58) NPC1RAB9AXDHMCL1GSTP1

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-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-10-03 US disclosed
US-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2020-07-30 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 (2 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-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE NEU1, NEU3, NEU2 NPC1 352/4885RAB9A 2943/4885LTA4H 421/4885
US-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase NEU1, NEU3, NEU2 NPC1 352/4885RAB9A 2943/4885LTA4H 421/4885

“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.