SCHEMBL13800652

SCHEMBL13800652

O=C(O)CCNC(=O)c1ccc(CN(CCc2ccc(Cl)cc2)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PTGES O14684 2/20 0.51
GCGR P47871 5/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FFAR1 O14842 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTT P42858 1/20 0.45
GLP1R P43220 2/20 0.45
GIPR P48546 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL4096239 0.91 HDAC1 (0.50) HDAC1HDAC6PTGESGCGRNPC1
SCHEMBL2663021 0.83 GCGR (0.58) HDAC1HDAC6GCGRNPC1RAB9A
SCHEMBL2663129 0.82 GCGR (0.53) HDAC1HDAC6GCGRMEN1KMT2A
SCHEMBL2663018 0.80 TRPV1 (0.61) HDAC1HDAC6GCGRGLP1RGIPR
SCHEMBL2654437 0.78 S1PR1 (0.55) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL2663053 0.77 TRPV1 (0.62) GCGRGLP1RGIPR
SCHEMBL2654768 0.76 S1PR1 (0.66) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL4091181 0.76 GCGR (0.67) GCGRGLP1RGIPR
SCHEMBL2662984 0.76 GCGR (0.54) HDAC1HDAC6GCGRSMN1; SMN2MEN1
SCHEMBL2663137 0.75 ACHE (0.54) HDAC1NPC1RAB9ASMN1; SMN2FFAR1

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-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 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-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR HDAC1 2296/4885HDAC6 3537/4885PTGES 1679/4885

“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.