SCHEMBL3543503

SCHEMBL3543503

O=C(O)/C=C(\c1ccc(OC2CCCCO2)cc1)c1ncco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TNK2 Q07912 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
FAAH O00519 8/20 0.34
CES1 P23141 1/20 0.32

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
SCHEMBL3543506 1.00 MEN1 (0.45) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL13461881 1.00 MEN1 (0.45) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL14563334 0.91 MEN1 (0.42) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL4680747 0.89 MEN1 (0.41) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL12021301 0.89 MEN1 (0.41) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL4680751 0.89 MEN1 (0.41) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL4804564 0.85 MEN1 (0.47) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL3549943 0.79 MEN1 (0.41) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL3549947 0.79 MEN1 (0.41) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL3551050 0.78 KMT2A (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 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 (4 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 MEN1 1317/4885KMT2A 1619/4885TNK2 3894/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX MEN1 991/4885KMT2A 2325/4885TNK2 4223/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX MEN1 991/4885KMT2A 2325/4885TNK2 4223/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC MEN1 684/4885KMT2A 1240/4885TNK2 4140/4885

“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.