SCHEMBL5117052

SCHEMBL5117052

O=C(O)Cc1coc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
FFAR1 O14842 3/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
MTOR P42345 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL4415483 0.85 LMNA (0.58) HDAC1HDAC8HDAC6LMNAKMT2A
Hydrochloric Acid SCHEMBL1374005 0.83 LMNA (0.57) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL27521358 0.82 HDAC1 (0.49) HDAC1HDAC8HDAC6KMT2AGAA
SCHEMBL5119297 0.79 HDAC1 (0.51) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL5758598 0.79 HDAC1 (0.50) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL5200302 0.79 LMNA (0.52) LMNAKMT2AGAATSHRFFAR1
SCHEMBL1047872 0.79 HDAC1 (0.50) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL28787698 0.79 FFAR1 (0.60) LMNAGAATSHRFFAR1TP53
SCHEMBL12521272 0.78 HDAC1 (0.72) HDAC1HDAC8HDAC6KMT2AKDM4E
SCHEMBL6971893 0.78 HDAC1 (0.54) HDAC1HDAC8HDAC6LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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 (3 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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C HDAC1 313/4885HDAC8 451/4885HDAC6 120/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 HDAC1 1904/4885HDAC8 3248/4885HDAC6 4092/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A HDAC1 267/4885HDAC8 386/4885HDAC6 87/4885

“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.