SCHEMBL5286396

SCHEMBL5286396

Cc1ccc[n+](Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
PABPC1 P11940 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHKA P35790 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30192808 1.00 LMNA (0.61) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL5155050 0.98 LMNA (0.65) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
Bromide SCHEMBL17105097 0.98 LMNA (0.62) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL5074160 0.90 LMNA (0.55) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL4404405 0.86 LMNA (0.62) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
Trifluoromethanesulfonic Acid SCHEMBL5674252 0.84 LMNA (0.53) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL5293777 0.80 LMNA (0.61) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
Bromide SCHEMBL11580547 0.79 PABPC1 (0.51) LMNAL3MBTL1ALDH1A1KDM4EPABPC1
SCHEMBL2737208 0.79 LMNA (0.92) LMNAL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL1525672 0.79 ALDH1A1 (0.52) LMNAL3MBTL1ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61286377-A None JP disclosed
CN-113604518-B Method for degrading dibenzothiophene by artificial nicotinamide cofactor-mediated enzymatic method 郑州大学 2023-05-09 CN disclosed
CN-113604518-A Method for degrading dibenzothiophene through artificial nicotinamide cofactor mediated enzymatic method 郑州大学 2021-11-05 CN disclosed
CN-108350325-B Adhesive-attached resin film and optical laminate comprising same 住友化学株式会社 2021-08-10 CN disclosed
US-9981969-B2 Imidazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-29 US disclosed
US-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-04-21 US disclosed
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C WINDTREE THERAPEUTICS, INC. 2015-10-01 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed
US-4906342-A Plating bath for electrodeposition of aluminum and plating process making use of the bath NISSHIN STEEL CO., LTD. (JP) 1990-03-06 US disclosed
EP-0339535-A1 Plating bath for electrodeposition of aluminum and plating process making use of the bath NISSHIN STEEL CO., LTD. (JP) 1989-11-02 EP disclosed
JP-S61286377-A PRODUCTION OF HEXAHYDRONICOTINE JAPAN TOBACCO INC 1986-12-16 JP 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-20160108048-A1 IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A43, CYP3A4, CYP3A7 LMNA 4540/4885L3MBTL1 4538/4885ALDH1A1 105/4885
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C PRKCQ, PRKCA, PRKCZ LMNA 2699/4885L3MBTL1 3768/4885ALDH1A1 4393/4885

“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.