SCHEMBL4624494

SCHEMBL4624494

ClC(=Nc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
PLAU P00749 1/20 0.48
NOS1 P29475 5/20 0.46
NOS3 P29474 3/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4624489 1.00 KMT2A (0.54) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL18100420 0.95 ESR1 (0.50) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL18100425 0.95 MEN1 (0.48) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL11649906 0.89 KMT2A (0.48) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL18100423 0.88 KMT2A (0.46) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL13585512 0.87 HTR3E (0.48) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL13585511 0.87 HTR3E (0.48) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL11385861 0.85 SLC22A2 (0.47) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL16038636 0.85 ESR1 (0.44) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL16038637 0.85 ESR1 (0.44) KMT2AMEN1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604947-B2 Substituted 5-imino-1,2,4-thiadiazoles that can be used to treat neurodegenerative diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-03-28 US disclosed
EP-2484670-B1 SUBSTITUTED 5-IMINO-1,2,4-THIADIAZOLES THAT CAN BE USED TO TREAT NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR INVESTIGACION (ES) 2016-07-20 EP disclosed
US-9006336-B2 Curable polysiloxane coating composition 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-14 US disclosed
EP-2838935-A1 CURABLE POLYSILOXANE COATING COMPOSITION 3M Innovative Properties Company (US) 2015-02-25 EP disclosed
US-20140378608-A1 CURABLE POLYSILOXANE COATING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2014-12-25 US disclosed
WO-2013101477-A1 CURABLE POLYSILOXANE COATING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-07-04 WO disclosed
US-20120225879-A1 SUBSTITUTED 5-IMINO-1,2,4-THIADIAZOLES THAT CAN BE USED TO TREAT NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFACAS ( CSIC) (ES) 2012-09-06 US disclosed
EP-2484670-A1 SUBSTITUTED 5-IMINO-1,2,4-THIADIAZOLES THAT CAN BE USED TO TREAT NEURODEGENERATIVE DISEASES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2012-08-08 EP disclosed
EP-1180107-B1 NOVEL RUTHENIUM METAL ALKYLIDENE COMPLEXES COORDINATED WITH TRIAZOLYLIDENE LIGANDS THAT EXHIBIT HIGH OLEFIN METATHESIS ACTIVITY CALIFORNIA INST OF TECHN (US) 2008-06-11 EP disclosed
EP-1180107-A4 NOVEL RUTHENIUM METAL ALKYLIDENE COMPLEXES COORDINATED WITH TRIAZOLYLIDENE LIGANDS THAT EXHIBIT HIGH OLEFIN METATHESIS ACTIVITY CALIFORNIA INST OF TECHN (US) 2005-01-12 EP disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 US disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP disclosed
US-4639454-A LYMPHOID LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-27 US disclosed
EP-0091790-A2 Process for preparing 2-alkylamino- and 2-amino-5-alkylpyridines REILLY INDUSTRIES, INC. (US) 1983-10-19 EP disclosed
US-4405790-A FROM 3-ALKYLPYRIDINE; SODIUM ALKYLAMIDE REILLY TAR & CHEMICAL CORP. (US) 1983-09-20 US disclosed
US-4353830-A Process for the preparation of substituted amidines GENERAL ELECTRIC COMPANY (US) 1982-10-12 US disclosed
US-4304914-A CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1981-12-08 US disclosed
US-4302591-A 1-BENZIMIDOYL-DIHYDROPYRIDINES USV PHARMACEUTICAL CORPORATION (US) 1981-11-24 US disclosed
US-4264505-A ANTIARRHYTHMIA AGENTS USV PHARMACEUTICAL CORPORATION (US) 1981-04-28 US disclosed
US-4210551-A IMIDOYL COMPOUND AS ACTIVATOR FMC CORPORATION (US) 1980-07-01 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 (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-20120225879-A1 SUBSTITUTED 5-IMINO-1,2,4-THIADIAZOLES THAT CAN BE USED TO TREAT NEURODEGENERATIVE DISEASES PDE7B, PDE7A, PARK7 KMT2A 3709/4885MEN1 2152/4885HTR3E 1703/4885

“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.