SCHEMBL3171879

SCHEMBL3171879

O=C1C=CC(=O)N1c1cc(Cl)cc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.62
▸ HSP90AA1 P07900 2/20 0.56
▸ CCR6 P51684 2/20 0.56
▸ FAAH O00519 4/20 0.55
▸ NSD2 O96028 1/20 0.50
▸ G6PD P11413 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL5078820 0.95 MGLL (0.62) MGLLHSP90AA1CCR6FAAHNSD2
SCHEMBL8641616 0.83 MGLL (0.70) MGLLHSP90AA1CCR6FAAHNSD2
SCHEMBL19067079 0.80 TSHR (0.44) MGLLHSP90AA1CCR6FAAHNSD2
SCHEMBL19067074 0.80 MGLL (0.61) MGLLHSP90AA1CCR6FAAHG6PD
SCHEMBL30645229 0.78 HPN (0.60) MGLLHSP90AA1CCR6FAAHNSD2
SCHEMBL26667209 0.78 HPN (0.60) MGLLHSP90AA1CCR6FAAHNSD2
SCHEMBL962950 0.77 MGLL (1.00) MGLLHSP90AA1CCR6FAAHNPSR1
SCHEMBL2847212 0.77 MGLL (1.00) MGLLHSP90AA1FAAHPKMALDH1A1
SCHEMBL11666213 0.77 MGLL (0.48) MGLLHSP90AA1CCR6FAAHNSD2
SCHEMBL25586084 0.77 MGLL (0.48) MGLLHSP90AA1CCR6FAAHNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56071006-A — — None — — JP disclosed
CN-113717948-B Hybridoma cell strain secreting anti-sclerotinia monoclonal antibody and application thereof 江南大学 2023-09-15 — — CN disclosed
CN-113717948-B Hybridoma cell strain secreting anti-sclerotinia monoclonal antibody and application thereof 江南大学 2023-09-15 — — CN disclosed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 — — US disclosed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 — — US disclosed
US-20220064195-A1 SYNTHETIC I2 IMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS UNIVERSITAT DE LES ILLES BALEARS (ES) 2022-03-03 — — US disclosed
EP-3917516-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab, LLC (US) 2021-12-08 — — EP disclosed
EP-3897838-A1 <SUP2/>? <SUB2/>?2?SYNTHETIC IIMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS Universitat de Barcelona (ES) 2021-10-27 — — EP disclosed
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 — — EP disclosed
EP-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 — — EP disclosed
JP-S5671006-A INDUSTRIAL MILDEWCIDE IHARA CHEM IND CO LTD 1981-06-13 — — JP disclosed
US-4111879-A RESIN AND AN N-ARYL-MALEIMIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1978-09-05 — — US disclosed
US-4082849-A FUNGICIDES, BACTERICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-04-04 — — US disclosed
US-4081267-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-28 — — US disclosed
US-4054668-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-10-18 — — US disclosed
US-4033752-A FUNGICIDES, HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1977-07-05 — — US disclosed
US-4025651-A N-substituted-aminoacetamides used as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-05-24 — — US disclosed
US-4009278-A Antimicrobial composition and method containing N-(3,5-dihalophenyl)-imide compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-02-22 — — US disclosed
US-3993771-A FUNGICIDES; ALPHA-BENZYLIDINE-GAMMA-BUTYROLACTONE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 — — US disclosed
US-3966789-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-29 — — 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-20220064195-A1 SYNTHETIC I2 IMIDAZOLINE RECEPTOR LIGANDS FOR PREVENTION OR TREATMENT OF HUMAN BRAIN DISORDERS CHRM1, GPR3, CHRM3 MGLL 3253/4885HSP90AA1 3670/4885CCR6 3504/4885
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT MGLL 2475/4885HSP90AA1 2760/4885CCR6 360/4885

“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.

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