SCHEMBL14922097

SCHEMBL14922097

COc1ccc(C(=O)CN=[N+]=[N-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ HDAC9 Q9UKV0 2/20 0.59
▸ HDAC5 Q9UQL6 2/20 0.59
▸ GSK3B P49841 1/20 0.54
▸ MAPT P10636 1/20 0.50
▸ PDE4B Q07343 1/20 0.49
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL26915349 0.83 TDP1 (0.52) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL14195915 0.83 PDE4B (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28984896 0.82 GSK3B (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13928758 0.81 CES2 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23531960 0.80 GAA (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22925919 0.80 MMP2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28214996 0.79 NPC1 (0.48) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL22005570 0.79 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13817452 0.77 NPC1 (0.50) MAPTCES2CES1NPC1RAB9A
SCHEMBL34473284 0.77 MEN1 (0.38) GSK3BMAPTNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180515-B Synthetic method of N- [ 2-hydroxy-2- (4-methoxyphenyl) ethyl ] cinnamamide 苏利制药科技江阴有限公司 2021-04-06 — — CN claimed
CN-109180515-A A kind of synthetic method of N- [2- hydroxyl -2- (4- methoxyphenyl) ethyl] cinnamamide 苏利制药科技江阴有限公司 2019-01-11 — — CN claimed
WO-2025064829-A1 A MOLECULAR SCAFFOLD FOR DEPLETING HRPN13 AND A SELECT GROUP OF KEN BOX PROTEINS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-03-27 — — WO disclosed
WO-2023215823-A1 MEASUREMENT OF PERMEATION OF SMALL MOLECULES INTO GRAM NEGATIVE BACTERIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-11-09 — — WO disclosed
CN-116589418-A 2-triazoloethane-1-one/alcohol HSP90/HIF-1 inhibitor and application thereof 大连理工大学 2023-08-15 — — CN disclosed
CN-109180515-B Synthetic method of N- [ 2-hydroxy-2- (4-methoxyphenyl) ethyl ] cinnamamide 苏利制药科技江阴有限公司 2021-04-06 — — CN disclosed
CN-109180515-A A kind of synthetic method of N- [2- hydroxyl -2- (4- methoxyphenyl) ethyl] cinnamamide 苏利制药科技江阴有限公司 2019-01-11 — — CN disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 — — US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — 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 (2 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 HDAC3 787/4885HDAC4 2918/4885HDAC1 781/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 HDAC3 452/4885HDAC4 417/4885HDAC1 326/4885

“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.

Send feedback