SCHEMBL3852945

SCHEMBL3852945

CNCC(=O)c1ccc(OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.61
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
GSK3B P49841 1/20 0.61
PLK1 P53350 1/20 0.58
MMP1 P03956 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
ALOX15 P16050 1/20 0.57
APEX1 P27695 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57

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
Hydrochloric Acid SCHEMBL3848973 0.98 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL3654767 0.98 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL153386 0.84 ALDH1A1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13060414 0.83 MMP1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26935175 0.82 RAB9A (0.60) ALDH1A1TDP1CA1CA2MAPT
SCHEMBL24443525 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1193504 0.81 NPC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19407136 0.81 MMP1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7444623 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1180270 0.81 CA1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385782-A Mechanochemical synthesis method of benzoyl compound 兰州大学 2022-11-25 CN disclosed
EP-3601232-B1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL LLC (US) 2022-11-23 EP disclosed
US-20220274949-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2022-09-01 US disclosed
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 US disclosed
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles CURZA GLOBAL, LLC (US) 2022-05-24 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20090171110-A1 PROCESS FOR PREPARING N-METHYL-3, 4-DIMETHOXYPHENYLETHYLAMINE SICOR INC. 2009-07-02 US disclosed
US-20090171110-A1 PROCESS FOR PREPARING N-METHYL-3, 4-DIMETHOXYPHENYLETHYLAMINE SICOR INC. 2009-07-02 US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
EP-0143711-B1 DERIVATIVES OF N-(METHOXYPHENACYL)AMINE, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1987-08-12 EP disclosed
US-4386053-A IMPREGNATION OF SUBSTRATE WITH ORGANIC PEROXIDE, CHROMOGEN, BUFFER AND STABILIZER TERUMO CORPORATION (JP) 1983-05-31 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 (4 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HDAC3 408/4885HDAC4 492/4885HDAC1 371/4885
US-20090171110-A1 PROCESS FOR PREPARING N-METHYL-3, 4-DIMETHOXYPHENYLETHYLAMINE PNMT, COMT, TET3 HDAC3 2760/4885HDAC4 2930/4885HDAC1 4251/4885
US-20220274949-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC3 50/4885HDAC4 62/4885HDAC1 26/4885
US-11339140-B2 Compositions and methods comprising substituted 2-aminoimidazoles AADAC, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC3 50/4885HDAC4 62/4885HDAC1 26/4885

“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.