SCHEMBL624404

SCHEMBL624404

CCCCCC1C(=O)NNC1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 3/20 0.41
HLCS P50747 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.35
FASN P49327 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
PRKCA P17252 1/20 0.34

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
SCHEMBL2580220 0.86 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL572791 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL2722732 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3911611 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL472596 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9885892 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6381412 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL21496215 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9240496 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9063018 0.78 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180568-B1 HERBICIDES, MITICIDES, INSECTICIDES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2001-01-30 US claimed
EP-1026159-A1 4-ARYL-4-SUBSTITUTED PYRAZOLIDINE-3,5-DIONE DERIVATIVES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP claimed
EP-2806741-B1 PHENYL-SUBSTITUTED KETOENOLS FOR CONTROLLING FISH PARASITES BAYER IP GMBH (DE) 2020-03-04 EP disclosed
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 US disclosed
EP-3046907-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES Syngenta Limited (GB) 2016-07-27 EP disclosed
EP-1962599-B1 INSECTICIDE COMPOUNDS WITH IMPROVED EFFECT BAYER IP GMBH (DE) 2016-03-16 EP disclosed
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US disclosed
US-9089137-B2 Phenyl-substituted ketoenols for controlling fish parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
EP-1026159-A1 4-ARYL-4-SUBSTITUTED PYRAZOLIDINE-3,5-DIONE DERIVATIVES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP disclosed
US-5994274-A Dialkyl phenyl halide-substituted keto-enols for use as herbicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1999-11-30 US disclosed
US-5780394-A EFFECTIVE AGAINST CHEMICAL RESISTANT PESTS; PESTICIDES, HERBIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5739389-A INSECTICIDE; HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5661110-A PESTICIDES; INSECTICIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-26 US disclosed
EP-0508126-B1 3-Hydroxy-4-aryl-5-oxo-pyrazolin derivatives BAYER AG (DE) 1997-05-02 EP disclosed
US-5474974-A Insecticide, pesticide, nematocide, miticide and herbicide BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5332720-A 3-hydroxy-4-aryl-5-oxo-pyrazoline derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-07-26 US disclosed
EP-0508126-A1 3-Hydroxy-4-aryl-5-oxo-pyrazolin derivatives BAYER AG (DE) 1992-10-14 EP 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-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES CBR3, CBR1, CNPY2 ALDH1A1 1204/4885MEN1 4661/4885KMT2A 287/4885

“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.