SCHEMBL20798455

SCHEMBL20798455

Cc1nn(Cc2ccccc2)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
SCD O00767 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
KLKB1 P03952 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL4347831 0.83 PTGDR2 (0.61) PTGDR2FFAR4SCDPOLBLMNA
SCHEMBL20187293 0.80 KMT2A (0.43) ADORA3RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL6036298 0.80 HDAC1 (0.38) SCDADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL14660116 0.80 SMN1; SMN2 (0.49) PTGDR2FFAR4SCDADORA3NPC1
SCHEMBL15556012 0.80 NPC1 (0.40) PTGDR2FFAR4SCDADORA3NPC1
SCHEMBL23401265 0.79 SCD (0.45) FFAR4SCDADORA3NPC1RAB9A
SCHEMBL259686 0.79 HDAC1 (0.48) SCDADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL28234250 0.78 L3MBTL1 (0.41) ADORA3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4351966 0.77 NPC1 (0.46) SCDADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL6034833 0.77 MAPT (0.40) ADORA3NPC1RAB9ASMN1; SMN2POLB

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-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 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-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY PTGDR2 755/4885FFAR4 135/4885SCD 4/4885

“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.