SCHEMBL459669

SCHEMBL459669

COc1ccc(/C=C/C(=O)NN)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.75
▸ HDAC1 Q13547 3/20 0.75
▸ HDAC2 Q92769 3/20 0.75
▸ HDAC8 Q9BY41 3/20 0.75
▸ HDAC6 Q9UBN7 2/20 0.75
▸ HDAC4 P56524 1/20 0.69
▸ HDAC7 Q8WUI4 1/20 0.69
▸ HDAC10 Q969S8 1/20 0.69
▸ HDAC11 Q96DB2 1/20 0.69
▸ HDAC9 Q9UKV0 1/20 0.69
▸ HDAC5 Q9UQL6 1/20 0.69
▸ GSK3B P49841 1/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ F3 P13726 2/20 0.66
▸ THRB P10828 2/20 0.64
▸ ATM Q13315 1/20 0.64
▸ TAS1R3 Q7RTX0 2/20 0.63
▸ TAS1R1 Q7RTX1 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ CYP1A2 P05177 1/20 0.63

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
SCHEMBL459670 1.00 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14244673 0.86 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11707965 0.86 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11707977 0.86 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12426306 0.86 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13253697 0.84 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3292542 0.81 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3292536 0.81 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17693073 0.81 MAPT (0.88) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5430052 0.81 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC8HDAC6

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
JP-8291154-A — — None — — JP disclosed
JP-55024113-A — — None — — JP disclosed
US-8853276-B2 Guanidine derivatives in cinnamic series PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2014-10-07 — — US disclosed
EP-2614046-B1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PROD CHIM AUXILIAIRES ET DE SYNTHESE (FR) 2014-08-20 — — EP disclosed
EP-2614046-A1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES Produits Chimiques Auxiliaires et de Synthese (FR) 2013-07-17 — — EP disclosed
US-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2013-06-27 — — US disclosed
WO-2012032257-A1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2012-03-15 — — WO disclosed
JP-H08291154-A PRODUCTION OF 2-TRICHLOROMETHYL-5-SUBSTITUTED-1,3,4-OXADIAZOLE DERIVATIVE FUJI PHOTO FILM CO LTD 1996-11-05 — — JP disclosed
US-4232106-A Photosensitive compositions containing 2-halomethyl-5-vinyl-1,3,4-oxadiazoles as free radical progenitors FUJI PHOTO FILM CO., LTD. (JP) 1980-11-04 — — US disclosed
US-4212970-A PHOTOINITIATORS FUJI PHOTO FILM CO., LTD. (JP) 1980-07-15 — — US disclosed
JP-S5524113-A NOVEL 2-HALOMETHYL-5-VINYL-1,3,4-OXADIAZOLE COMPOUND FUJI PHOTO FILM CO LTD 1980-02-21 — — JP disclosed
JP-S05524113-A — — 0001-01-01 — — JP 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-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES GMPS, UNG, AGER HDAC3 4240/4885HDAC1 3767/4885HDAC2 3350/4885

“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.

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