SCHEMBL19612098

SCHEMBL19612098

COc1c(C)cc(Cl)cc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCS1 P62166 1/20 0.65
▸ DYRK1A Q13627 2/20 0.57
▸ AGPAT2 O15120 1/20 0.51
▸ CSNK1D P48730 9/20 0.48
▸ DCLK1 O15075 1/20 0.44
▸ FES P07332 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ MAP4K2 Q12851 1/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ HIPK4 Q8NE63 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ CSNK1G3 Q9Y6M4 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 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
SCHEMBL19612122 0.92 DYRK1A (0.57) NCS1DYRK1ACSNK1DDCLK1FES
SCHEMBL19612101 0.87 DYRK1A (0.60) NCS1DYRK1AAGPAT2CSNK1DUSP2
SCHEMBL19627274 0.84 NPC1 (0.49) NCS1CSNK1DDCLK1FESPIM1
SCHEMBL24044916 0.82 DYRK1A (0.54) NCS1DYRK1ACSNK1D
SCHEMBL19612108 0.82 DYRK1A (0.54) NCS1DYRK1ACSNK1D
SCHEMBL19612077 0.82 NCS1 (0.45) NCS1CSNK1DDCLK1FESPIM1
SCHEMBL19612128 0.82 MAPT (0.44) NCS1DCLK1FESPIM1CDK2
SCHEMBL19627267 0.81 DYRK1A (0.53) NCS1DYRK1ACSNK1D
SCHEMBL19612166 0.81 DYRK1A (0.53) NCS1DYRK1ACSNK1DRXFP1KDM4E
SCHEMBL19612165 0.81 DYRK1A (0.53) NCS1DYRK1ACSNK1D

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458454-B1 2-HYDROXY-N-(BENZO[D]THIAZOL-2-YL)BENZAMIDE DERIVATIVES AS MITOCHONDRIAL UNCOUPLERS FOR THE TREATMENT OF METABOLIC DISEASES AND CANCER UNIV RUTGERS (US) 2021-11-24 — — EP disclosed
EP-3458454-B1 2-HYDROXY-N-(BENZO[D]THIAZOL-2-YL)BENZAMIDE DERIVATIVES AS MITOCHONDRIAL UNCOUPLERS FOR THE TREATMENT OF METABOLIC DISEASES AND CANCER UNIV RUTGERS (US) 2021-11-24 — — EP disclosed
CN-109415363-B Novel mitochondrial uncoupling agents for the treatment of metabolic diseases and cancer 罗格斯,新泽西州立大学 2021-07-20 — — CN disclosed
EP-3458454-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Rutgers, The State University of New Jersey (US) 2019-03-27 — — EP disclosed
US-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 — — US disclosed
US-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 — — US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 — — US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 — — US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 — — US disclosed
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 — — WO disclosed
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 — — 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 (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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 NCS1 4216/4885DYRK1A 4412/4885AGPAT2 113/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 NCS1 4028/4885DYRK1A 4289/4885AGPAT2 118/4885

“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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