SCHEMBL6924499

SCHEMBL6924499

Cc1cccc(C)c1NC(=O)CCCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 4/20 0.56
SCN3A Q9NY46 3/20 0.56
LMNA P02545 3/20 0.56

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
SCHEMBL11190523 0.90 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10993023 0.89 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9706454 0.88 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7227453 0.87 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7281346 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL307790 0.85 MEN1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10356619 0.83 KDR (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6923968 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11371462 0.83 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7822207 0.81 HDAC3 (0.65) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021443-B2 Charged ion channel blockers and methods for use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-01 US disclosed
US-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-03 US disclosed
WO-2017024037-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-09 WO disclosed
EP-1140803-B1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GMBH (DE) 2003-10-22 EP disclosed
US-6518458-B1 ((aminoiminomethyl)amino)alkane-carboxamide type in the treatment of pathologies associated with insulin resistance syndrome. MERCK PATENT GMBH (DE) 2003-02-11 US disclosed
EP-1140803-A1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-2000042001-A1 ((AMINOIMINOMETHYL) AMINO) ALKANECARBOXAMIDES AND THEIR APPLICATIONS IN THERAPY MERCK PATENT GMBH (DE) 2000-07-20 WO disclosed
CN-1109057-A Imidazopyridazine MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed
US-5025013-A Antiarrhythmia or antifibrillatory agents RHONE-POULENC SANTE (FR) 1991-06-18 US disclosed
US-4855497-A Novel diamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1989-08-08 US disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0068544-B1 NOVEL N-ARYL-PIPERAZINEALKANAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1987-06-03 EP disclosed
EP-0196648-A1 Novel diamine derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1986-10-08 EP disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed
US-4415587-A Method of use of antiarrhythmic 1-arylcarbamoylalkyl imidazole derivatives, composition BERLEX LABORATORIES, INC. (US) 1983-11-15 US disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 EP disclosed
US-4353921-A Antiarrythmic 1-arylcarbamoylalkyl-2-imidazoline derivatives, composition and method of use BERLEX LABORATORIES, INC. (US) 1982-10-12 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 (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-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPA1 HDAC3 818/4885HDAC4 1510/4885HDAC1 1665/4885
US-11021443-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPA1 HDAC3 818/4885HDAC4 1510/4885HDAC1 1665/4885

“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.