SCHEMBL922425

SCHEMBL922425

O=C(Cl)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ACHE P22303 1/20 0.59
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
LMNA P02545 2/20 0.56
HSD17B10 Q99714 3/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL2623697 0.95 HDAC8 (0.65) ALDH1A1ACHEKMT2ATDP1HDAC8
SCHEMBL5272078 0.93 HDAC8 (0.68) ALDH1A1KMT2ATDP1HDAC8HDAC3
SCHEMBL8897691 0.93 HDAC8 (0.68) ALDH1A1KMT2ATDP1HDAC8HDAC3
SCHEMBL29642483 0.89 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1HDAC8HDAC3
SCHEMBL3756580 0.89 ALDH1A1 (0.57) ALDH1A1KMT2ATDP1HDAC8HDAC3
SCHEMBL11754615 0.85 ALDH1A1 (0.62) ALDH1A1ACHEKMT2ATDP1HDAC8
SCHEMBL5041554 0.84 ALDH1A1 (0.60) ALDH1A1ACHEKMT2ATDP1HDAC8
SCHEMBL29459522 0.84 KMT2A (0.73) ALDH1A1ACHEKMT2ATDP1HDAC8
SCHEMBL877279 0.84 KMT2A (0.73) ALDH1A1ACHEKMT2ATDP1HDAC8
SCHEMBL10672732 0.83 ALDH1A1 (0.56) ALDH1A1ACHEKMT2ATDP1HDAC8

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996033199-A1 PROCESS FOR MAKING 1-HYDROXYBISPHOSPHONATES MERCK & CO., INC. (US) 1996-10-24 WO claimed
US-5159108-A Process for preparing an antihypercalcemic agent MERCK & CO., INC. (US) 1992-10-27 US claimed
US-20160200670-A1 RADIOPAQUE MONOMERS, POLYMERS, MICROSPHERES, AND METHODS RELATED THERETO WELLS FARGO BANK, NATIONAL ASSOCIATION, AS ADMINISTRATIVE AGENT 2016-07-14 US disclosed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-7214794-B2 Capable of crossing cell membrane; induction apoptosis in human cancer cells BRACCO S.P.A. (IT) 2007-05-08 US disclosed
US-7214794-B2 Capable of crossing cell membrane; induction apoptosis in human cancer cells BRACCO S.P.A. (IT) 2007-05-08 US disclosed
CN-1896078-A Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-17 CN disclosed
CN-1264846-C Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2006-07-19 CN disclosed
US-4957920-A INOTROPIC HEUMANN PHARMA GMBH & CO. (DE) 1990-09-18 US disclosed
EP-0354881-A1 Acetazolamide-related compounds, process for their preparation, and pharmaceutical composition containing the same ISTITUTO CHIMICO INTERNAZIONALE DR. GIUSEPPE RENDE S.R.L. (IT) 1990-02-14 EP disclosed
US-4883815-A CONTROL OR PREVENTION OF CEREBRAL INSUFFICIENCY, IMPROVEMENT OF COGNITIVE FUNCTIONS HOFFMANN-LA ROCHE INC. (US) 1989-11-28 US disclosed
CN-1036952-A Hydrogenated cinnamic acid derivative and its method for making HOFFMANN LA ROCHE (CH) 1989-11-08 CN disclosed
US-4670448-A ANTIINFLAMMATORY AGENTS, HISTAMINE H2-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1987-06-02 US disclosed
US-4399151-A USING A-SUBSTITUTERD AMINES OR A-SUBSTITUTED AMINO ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-16 US disclosed
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 US disclosed
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 US disclosed
US-3957988-A Antiviral compositions containing bis-basic ketones of thioxanthene RICHARDSON-MERRELL INC. (US) 1976-05-18 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 (3 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885ACHE 4763/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885ACHE 4763/4885KMT2A 2931/4885
US-20160200670-A1 RADIOPAQUE MONOMERS, POLYMERS, MICROSPHERES, AND METHODS RELATED THERETO CD68, MVD, RAD54L ALDH1A1 2345/4885ACHE 3901/4885KMT2A 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.