SCHEMBL6630702

SCHEMBL6630702

CNC(=O)CCCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.69
HDAC2 Q92769 5/20 0.69
ALOX5 P09917 2/20 0.69
HDAC3 O15379 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
HPGD P15428 1/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
EPHX1 P07099 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55

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
SCHEMBL16658764 0.98 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL16658766 0.98 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL16658763 0.98 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL5990328 0.98 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL8009605 0.98 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL16658762 0.98 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL14419004 0.95 HDAC1 (0.72) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL622139 0.94 HDAC1 (0.70) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL14643880 0.90 HDAC2 (0.74) HDAC1HDAC2ALOX5HDAC3HDAC8
SCHEMBL20373704 0.89 HDAC1 (0.65) HDAC1HDAC2ALOX5HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
CN-104892542-B The 2 carbonyl thiazoles and 2 carbonyl oxazoles of anti-inflammatory 埃维克辛公司 2018-01-26 CN disclosed
CN-103772312-B The 2-carbonyl thiazole of anti-inflammatory and 2-carbonyl oxazole 埃维克辛公司 2016-08-17 CN disclosed
CN-104892542-A ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS 2015-09-09 CN disclosed
CN-102647984-B Anti-inflammatory 2-carbonylthiazoles and 2-carbonyloxazoles AVEXXIN AS 2015-03-25 CN disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
EP-1441726-A1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS Merck Patent GmbH (DE) 2004-08-04 EP disclosed
WO-2003039543-A1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2003-05-15 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 (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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HDAC1 993/4885HDAC2 514/4885ALOX5 3393/4885

“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.