SCHEMBL144549

SCHEMBL144549

Cc1cc2cc(Cl)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.38
IDO1 P14902 1/20 0.38
ROCK1 Q13464 3/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
PSMB8 P28062 1/20 0.37
CYP2C19 P33261 1/20 0.37
CMA1 P23946 1/20 0.37
CYP3A4 P08684 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL144486 0.83 ALDH1A1 (0.38) CYP2A6SMN1; SMN2NPSR1LOXL2IDO1
SCHEMBL144441 0.77 CYP2A6 (0.57) CYP2A6SMN1; SMN2ALDH1A1CYP1A2CHRNA7
SCHEMBL5336284 0.77 CYP2A6 (0.41) CYP2A6SMN1; SMN2NPSR1LOXL2IDO1
SCHEMBL18003152 0.76 CYP2A6 (0.39) CYP2A6SMN1; SMN2NPSR1LOXL2IDO1
SCHEMBL17342267 0.75 SMN1; SMN2 (0.40) CYP2A6SMN1; SMN2NPSR1LOXL2IDO1
SCHEMBL12430 0.74 TUBB4A (0.42) CYP2A6NPSR1KDM4EALDH1A1CYP1A2
SCHEMBL9389492 0.74 SMN1; SMN2 (0.46) CYP2A6SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL8291879 0.74 CYP2A6 (0.36) CYP2A6ALDH1A1
SCHEMBL28353826 0.74 HSD17B10 (0.38) CYP2A6SMN1; SMN2NPSR1LOXL2IDO1
SCHEMBL2092742 0.74 CYP2A6 (0.38) CYP2A6SMN1; SMN2NPSR1LOXL2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110117264-B Phenyl sulfone derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-09 CN disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
US-11332462-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-05-17 US disclosed
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 US disclosed
EP-2896397-B2 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2020-10-07 EP disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-09-03 US disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed
WO-1999032112-A1 METHOD FOR TREATING DIABETES ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 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 (6 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP2A6 1825/4885SMN1; SMN2 1440/4885NPSR1 2840/4885
US-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885SMN1; SMN2 1047/4885NPSR1 4633/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CYP2A6 2122/4885SMN1; SMN2 1656/4885NPSR1 3282/4885
US-20200277286-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GRIN2C, TPMT CYP2A6 118/4885SMN1; SMN2 1690/4885NPSR1 446/4885
US-11332462-B2 Heteroaryl compounds and methods of use thereof COMT, GRIN2C, TPMT CYP2A6 118/4885SMN1; SMN2 1690/4885NPSR1 446/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885SMN1; SMN2 1047/4885NPSR1 4633/4885

“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.