SCHEMBL645489

SCHEMBL645489

N#Cc1ccc2[c]cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
SLC6A4 P31645 2/20 0.33
ENPP2 Q13822 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ENPP3 O14638 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5749366 0.86 CA1 (0.40) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL5749965 0.86 CA1 (0.40) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL644338 0.85 CA1 (0.44) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL22042786 0.81 CA1 (0.46) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL18936044 0.81 CYP1A1 (0.42) CA1CA2
SCHEMBL21858045 0.78 ASIC3 (0.47) CA1CA2
SCHEMBL21858068 0.78 ASIC3 (0.44) CA1CA2CYP2A6PLAUALDH1A1
SCHEMBL18935997 0.78 ASIC3 (0.33)
SCHEMBL5748847 0.76 CA1 (0.47) CA1CA2IMPDH2IMPDH1CYP2A6
SCHEMBL643635 0.74 CA1 (0.42) CA1CA2IMPDH2IMPDH1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BIOHAVEN THERAPEUTICS LTD. (US) 2024-07-09 US disclosed
US-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
CN-118103357-A FABP4/5 inhibitors, methods of use and methods of preparation 塞洛拉姆股份有限公司 2024-05-28 CN disclosed
US-20240158357-A1 NOVEL QUINAZOLINONES THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE OLIGOMERIX, INC. (US) 2024-05-16 US disclosed
US-20240158379-A1 NOVEL BENZOFURAN, BENZOTHIOPHENE, AND INDOLE ANALOGS THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE OLIGOMERIX, INC. 2024-05-16 US disclosed
US-20240148722-A1 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2024-05-09 US disclosed
EP-4363419-A1 SPIROCYCLIC PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE 4E Therapeutics, Inc. (US) 2024-05-08 EP disclosed
US-20240131004-A1 FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF INFLAMMATION AND PAIN KANNALIFE SCIENCES, INC. 2024-04-25 US disclosed
WO-2007042418-A2 NON-STAINING ANTIDEGRADANTS FOR VULCANIZED ELASTOMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-19 WO disclosed
EP-1747204-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-31 EP disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
US-20060178350-A1 7-(2-Cyclohexylidene-ethylidene)-spiro[4.5]decanes UNIVERSITEIT GENT (BE) 2006-08-10 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
WO-2005105758-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO disclosed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US disclosed
US-20050239811-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 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 (12 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-20240148722-A1 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS TARDBP, FUS, HSPE1 CA1 2032/4885CA2 4357/4885IMPDH2 3442/4885
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 CA1 854/4885CA2 1280/4885IMPDH2 546/4885
US-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CA1 1809/4885CA2 2889/4885IMPDH2 738/4885
US-12029731-B2 Acyl benzo[d]thiazol-2-amine and their methods of use BRCA1, ABAT, HDAC1 CA1 2366/4885CA2 2178/4885IMPDH2 2495/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CA1 1809/4885CA2 2889/4885IMPDH2 738/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CA1 1810/4885CA2 756/4885IMPDH2 4017/4885
US-20050239811-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 CA1 854/4885CA2 1280/4885IMPDH2 546/4885
US-20060178350-A1 7-(2-Cyclohexylidene-ethylidene)-spiro[4.5]decanes NR3C2, PKD2, REN CA1 3873/4885CA2 2878/4885IMPDH2 2420/4885
US-20240131004-A1 FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF INFLAMMATION AND PAIN BAX, IL1B, BCL2A1 CA1 190/4885CA2 987/4885IMPDH2 4466/4885
US-20240158357-A1 NOVEL QUINAZOLINONES THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE MAPT, PSEN1, APP CA1 3495/4885CA2 3549/4885IMPDH2 3443/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 CA1 4463/4885CA2 933/4885IMPDH2 3075/4885
US-20240158379-A1 NOVEL BENZOFURAN, BENZOTHIOPHENE, AND INDOLE ANALOGS THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE MAPT, HTT, APP CA1 4061/4885CA2 3624/4885IMPDH2 1399/4885

“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.