SCHEMBL682267

SCHEMBL682267

Cc1cnccc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
KIF11 P52732 2/20 0.37
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
LATS1 O95835 2/20 0.35
LATS2 Q9NRM7 2/20 0.35
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL27842129 0.82 TDP1 (0.38) TRPA1SIRT3TDP1ALOX5PTGS1
SCHEMBL31291226 0.82 TDP1 (0.38) TRPA1SIRT3TDP1ALOX5PTGS1
SCHEMBL30947593 0.82 ALDH1A1 (0.38) TRPA1SIRT3TDP1PTGS1PTGS2
SCHEMBL179265 0.81 SIRT3 (0.41) TRPA1KIF11SIRT3TDP1ALOX5
SCHEMBL1705592 0.80 KIF11 (0.39) KIF11TDP1ALOX5PTGS1PTGS2
SCHEMBL1311356 0.79 ALDH1A1 (0.45) TRPA1KIF11ALDH1A1CYP1A2CYP17A1
SCHEMBL18626328 0.79 PRKCH (0.34) TRPA1SIRT3TDP1LATS1LATS2
SCHEMBL18626327 0.79 PRKCH (0.34) TRPA1SIRT3TDP1LATS1LATS2
SCHEMBL20576799 0.78 KIF11 (0.38) KIF11ALOX5PTGS1PTGS2ALDH1A1
Ammonia Solution, Strong SCHEMBL29243632 0.77 ALDH1A1 (0.44) TRPA1KIF11ALDH1A1CYP1A2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 THE UNIVERSITY OF SUSSEX (GB) 2023-11-09 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 THE UNIVERSITY OF SUSSEX (GB) 2023-11-09 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
WO-1997035049-A1 ELECTROPLATING SOLUTION AND METHOD OF DEPOSITING SEMI-BRIGHT NICKEL PLATE FROM THE SOLUTION BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO disclosed
EP-0610236-B1 PROCESS FOR MAKING NICKEL-PLATED CASTINGS BASF AG (DE) 1995-09-20 EP disclosed
EP-0621908-B1 PROCESS FOR PRODUCING NICKEL-PLATED MOULDINGS BASF AG (DE) 1995-09-06 EP disclosed
US-5445727-A Having two brighteners; a heterocyclic quaternary ammonium salt and a substituted acetylenic compound BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
US-5438140-A Using cyclic ammonium compounds as brighteners BASF AKTIENGESELLSCHAFT (DE) 1995-08-01 US disclosed
EP-0621908-A1 PROCESS FOR PRODUCING NICKEL-PLATED MOULDINGS. BASF AG (DE) 1994-11-02 EP disclosed
EP-0610236-A1 PROCESS FOR MAKING NICKEL-PLATED CASTINGS. BASF AG (DE) 1994-08-17 EP disclosed
WO-1993015241-A1 PROCESS FOR PRODUCING NICKEL-PLATED MOULDINGS BASF AKTIENGESELLSCHAFT (DE) 1993-08-05 WO disclosed
WO-1993009275-A1 PROCESS FOR MAKING NICKEL-PLATED CASTINGS BASF AKTIENGESELLSCHAFT (DE) 1993-05-13 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 (8 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-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TRPA1 2567/4885KIF11 4462/4885SIRT3 411/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 TRPA1 3866/4885KIF11 1892/4885SIRT3 2731/4885
US-20230355617-A1 SMALL MOLECULE INHIBITORS OF LEMUR TYROSINE KINASE 3 LMTK3, LMTK2, LIMK1 TRPA1 1496/4885KIF11 2168/4885SIRT3 701/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 TRPA1 798/4885KIF11 2678/4885SIRT3 4601/4885
US-20230337517-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OCIAD2, OCIAD1 TRPA1 659/4885KIF11 3361/4885SIRT3 1097/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B TRPA1 1344/4885KIF11 3852/4885SIRT3 4094/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 TRPA1 9/4885KIF11 3075/4885SIRT3 1769/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TRPA1 4840/4885KIF11 3394/4885SIRT3 4158/4885

“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.