Sugi Predict

Sugi Predict / Compounds / SCHEMBL1248801

SCHEMBL1248801

SCHEMBL1248801

O=C1Nc2c(ccc(Cl)c2Cl)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 12/20 1.00
▸ DAO P14920 2/20 0.60
▸ NSD2 O96028 1/20 0.60
▸ BCHE P06276 1/20 0.60
▸ SIRT2 Q8IXJ6 3/20 0.51
▸ DNMT1 P26358 1/20 0.50
▸ SIRT1 Q96EB6 2/20 0.47
▸ SIRT3 Q9NTG7 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ LIG1 P18858 1/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ CASP3 P42574 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39

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
SCHEMBL14358786 0.80 CES1 (0.67) CES1DAONSD2BCHESIRT2
SCHEMBL30441928 0.80 CES1 (0.67) CES1DAONSD2BCHESIRT2
SCHEMBL29689423 0.80 CES1 (0.67) CES1DAONSD2BCHESIRT2
SCHEMBL951629 0.80 CES1 (1.00) CES1DAONSD2BCHESIRT2
SCHEMBL16647187 0.80 CES1 (0.67) CES1DAONSD2BCHESIRT2
SCHEMBL3080757 0.80 CES1 (0.67) CES1DAONSD2BCHEDNMT1
SCHEMBL2228834 0.76 CES1 (0.61) CES1DAONSD2BCHESIRT2
SCHEMBL20355272 0.76 CES1 (0.61) CES1DAONSD2BCHESIRT2
SCHEMBL313120 0.76 CES1 (0.61) CES1DAONSD2BCHEDNMT1
SCHEMBL30876329 0.76 CES1 (0.61) CES1DAONSD2BCHESIRT2

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
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
CN-114901279-A Inhibitors of cGAS for the treatment of autoinflammatory diseases and cancer metastasis 洛克菲勒大学 2022-08-12 — — CN disclosed
US-20220185812-A1 INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES AND CANCER METASTASIS THE ROCKEFELLER UNIVERSITY (US) 2022-06-16 — — US disclosed
EP-3917516-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab, LLC (US) 2021-12-08 — — EP disclosed
CN-113613649-A Compounds and methods for treating cystic fibrosis 弗拉特利发现实验室有限责任公司 2021-11-05 — — CN disclosed
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 — — CN disclosed
WO-2020160010-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2020-08-06 — — WO disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 — — EP disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 — — EP disclosed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 — — US disclosed
EP-1135123-B1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH AS (DK) 2004-12-29 — — EP disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 — — US disclosed
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 — — US disclosed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 — — EP disclosed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 — — WO disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 — — US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 — — EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 — — EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 — — WO 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 (4 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-20220185812-A1 INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES AND CANCER METASTASIS CGAS, STING1, IRF3 CES1 3063/4885DAO 2275/4885NSD2 3152/4885
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2434/4885DAO 4805/4885NSD2 2023/4885
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT CES1 217/4885DAO 1701/4885NSD2 4250/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2526/4885DAO 4786/4885NSD2 2104/4885

“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.