SCHEMBL2925868

SCHEMBL2925868

Cc1cccc(C)c1Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
NLRP3 Q96P20 2/20 0.45
LMNA P02545 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL812723 0.89 GABRA1 (0.52) MAPK1NLRP3LMNAGABRA1GABRG2
SCHEMBL3352406 0.86 RAPGEF4 (0.58)
SCHEMBL12076480 0.83 GABRA1 (0.43) MAPK1NLRP3LMNAGABRA1GABRG2
SCHEMBL5082721 0.83 MAPK1 (0.47) MAPK1NLRP3LMNAGABRA1GABRG2
SCHEMBL4804825 0.82 CXCL8 (0.44) MAPK1LMNAKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2866658 0.81 MAPK1 (0.46) MAPK1NLRP3LMNAGABRA1GABRG2
SCHEMBL2927525 0.81 ALDH1A1 (0.54) LMNACA1CA2CYP1A2CYP3A4
SCHEMBL114632 0.79 MAPK1 (0.49) MAPK1NLRP3LMNAGABRA1GABRG2
SCHEMBL5839727 0.79 MAPK1 (0.49) MAPK1NLRP3LMNAGABRA1GABRG2
SCHEMBL29464080 0.79 MAPK1 (0.49) MAPK1NLRP3LMNAGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
WO-2022078306-A1 LARGE STERIC HINDERANCE PALLADIUM-NITROGEN-HETEROCYCLIC CARBENE COMPLEX, PREPARATION METHOD FOR SAME, APPLICATIONS OF SAME, AND SYNTHESIS METHOD FOR SONIDEGIB BASED ON SAME 中山大学 2022-04-21 WO disclosed
US-9206107-B2 Method for producing carboxylic acid and alcohol by hydrolysis of ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-12-08 US disclosed
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-12-25 US disclosed
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-03-29 US disclosed
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-03-29 US disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (3 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-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 MAPK1 3677/4885NLRP3 4335/4885LMNA 4016/4885
US-20140378692-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AND ALCOHOL BY HYDROLYSIS OF ESTER ADH5, ADH1C, ADH1A MAPK1 2320/4885NLRP3 3795/4885LMNA 1884/4885
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations NDC1, NBAS, NUDC MAPK1 4384/4885NLRP3 3277/4885LMNA 1075/4885

“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.