SCHEMBL986732

SCHEMBL986732

COC(=O)c1ccc(CNC(=O)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.68
HDAC3 O15379 1/20 0.68
HDAC1 Q13547 1/20 0.68
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
PKM P14618 2/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
NAMPT P43490 2/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KLF5 Q13887 1/20 0.51
TSHR P16473 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL6016962 0.85 HDAC2 (0.65) HDAC2HDAC3HDAC1SMN1; SMN2RAB9A
SCHEMBL15685102 0.79 HDAC1 (0.72) HDAC2HDAC3HDAC1
SCHEMBL2878961 0.78 HSD17B10 (0.66) HDAC2HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL1793179 0.77 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APKMKDM4E
SCHEMBL4303744 0.77 KDM4E (0.57) HDAC2HDAC3HDAC1SMN1; SMN2KDM4E
SCHEMBL12584537 0.77 NAMPT (0.72) HDAC2HDAC3HDAC1KDM4EALDH1A1
SCHEMBL24450206 0.76 HDAC3 (0.58) HDAC2HDAC3HDAC1SMN1; SMN2RAB9A
SCHEMBL27538022 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL16562209 0.75 THRB (0.65) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL21396304 0.75 FAAH (0.64) HDAC2HDAC3HDAC1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 HDAC2 192/4885HDAC3 242/4885HDAC1 548/4885

“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.