SCHEMBL6404247

SCHEMBL6404247

O=C(CCCCl)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 13/20 0.66
HDAC1 Q13547 13/20 0.66
HDAC7 Q8WUI4 13/20 0.66
HDAC11 Q96DB2 13/20 0.66
HDAC8 Q9BY41 13/20 0.66
HDAC6 Q9UBN7 13/20 0.66
HDAC9 Q9UKV0 13/20 0.66
HDAC5 Q9UQL6 13/20 0.66
HDAC3 O15379 12/20 0.66
HDAC2 Q92769 12/20 0.66
HDAC10 Q969S8 12/20 0.66
CYP3A4 P08684 3/20 0.66
NCOR1 O75376 2/20 0.66
NCOR2 Q9Y618 2/20 0.66
KDM4E B2RXH2 1/20 0.66
BRD4 O60885 1/20 0.66
NR1I2 O75469 1/20 0.66
EGFR P00533 1/20 0.66
LTA4H P09960 1/20 0.66
NR0B1 P51843 1/20 0.66

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 SCHEMBL7806547 0.98 HDAC4 (0.64) HDAC4HDAC1HDAC7HDAC11HDAC8
Dimethylamine SCHEMBL27288007 0.95 HDAC4 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL11638411 0.94 HDAC4 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL541052 0.93 HDAC4 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL541042 0.93 HDAC4 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL19501637 0.89 HDAC1 (0.58) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL376976 0.88 MAPT (0.63) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.88 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6296181 0.88 HDAC4 (0.75) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.86 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480536-A Spirocyclic piperidone derivatives 中国人民解放军海军军医大学 2021-10-08 CN disclosed
EP-3072892-B1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF CHENGDU EASTON BIOPHARMACEUTICALS CO LTD (CN) 2019-10-23 EP disclosed
US-9587266-B2 Mutant luciferases UNIVERSITY OF MASSACHUSETTS (US) 2017-03-07 US disclosed
US-9587266-B2 Mutant luciferases UNIVERSITY OF MASSACHUSETTS (US) 2017-03-07 US disclosed
WO-2012109470-A2 MUTANT LUCIFERASES UNIVERSITY OF MASSACHUSETTS (US) 2012-08-16 WO disclosed
EP-1572608-B1 HYDROFORMYLATION PROCESS FOR THE CONVERSION OF AN ETHYLENICALLY UNSATURATED COMPOUND TO AN ALCOHOL SHELL INT RESEARCH (NL) 2008-07-02 EP disclosed
US-7208606-B2 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL OIL COMPANY (US) 2007-04-24 US disclosed
US-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL USA, INC. 2007-02-08 US disclosed
US-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol SHELL USA, INC. 2007-02-08 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 HDAC4 1499/4885HDAC1 122/4885HDAC7 1147/4885
US-20070032687-A1 Hydroformylation process for the conversion of an ethylenically unsaturated compound to an alcohol ADH1C, ADH1A, ADH5 HDAC4 3823/4885HDAC1 4763/4885HDAC7 4717/4885

“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.