SCHEMBL2623697

SCHEMBL2623697

O=C(Cl)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.65
HDAC3 O15379 3/20 0.65
HDAC4 P56524 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
HPGD P15428 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ACHE P22303 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL5272078 0.98 HDAC8 (0.68) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL8897691 0.98 HDAC8 (0.68) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL922425 0.95 ALDH1A1 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL3756580 0.87 ALDH1A1 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29642483 0.87 ALDH1A1 (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1795851 0.84 HDAC8 (0.67) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL10673485 0.83 HDAC8 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6790333 0.83 TDP1 (0.71) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL24687436 0.83 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL4202491 0.83 HDAC8 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 US disclosed
WO-2010107909-A2 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2008013840-A2 ERASTIN ANALOGS AND USES THEREOF TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 WO disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
US-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed
US-4234735-A ANTIHISTAMINES, ANTISECRETORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-11-18 US disclosed
US-4165377-A ANTIHISTAMINES, ANTISECRETORY ICI AMERICAS INC. (US) 1979-08-21 US disclosed
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 US disclosed
US-4104382-A (((THIAZOLYL-, ISOTHIAZOLYL- OR PYRIDYLALKYL)THIO)ALKYL)GUANIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US disclosed
US-4000302-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-12-28 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 HDAC8 757/4885HDAC3 1620/4885HDAC4 1202/4885
US-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 HDAC8 1633/4885HDAC3 1054/4885HDAC4 983/4885

“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.