SCHEMBL17356869

SCHEMBL17356869

CCN1c2ccc([N+](=O)[O-])cc2Sc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 9/20 0.56
▸ CYP1A2 P05177 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ESPL1 Q14674 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL29214101 0.94 SNCA (0.53) SNCACYP1A2LMNAMEN1MAPT
SCHEMBL30867068 0.94 SNCA (0.53) SNCACYP1A2LMNAMEN1MAPT
SCHEMBL11590885 0.83 SNCA (0.44) SNCACYP1A2LMNAMEN1MAPT
SCHEMBL11590888 0.83 SNCA (0.44) SNCACYP1A2LMNAMEN1MAPT
SCHEMBL8226386 0.81 SNCA (0.78) SNCAMEN1MAPTKMT2ACASP1
SCHEMBL31302973 0.80 SNCA (0.60) SNCACYP1A2LMNAMAPTALDH1A1
SCHEMBL11686919 0.79 ALDH1A1 (0.41) SNCACYP1A2LMNAMEN1MAPT
SCHEMBL11686903 0.79 ALDH1A1 (0.41) SNCACYP1A2LMNAMEN1MAPT
SCHEMBL1208152 0.76 SNCA (0.86) SNCALMNAMAPTGAA
SCHEMBL29214118 0.76 SNCA (0.70) SNCALMNAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10892525-B2 Rechargeable batteries including high-voltage cathode and redox shuttle conferring overcharge protection UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2021-01-12 — — US disclosed
US-20180006336-A1 RECHARGEABLE BATTERIES INCLUDING HIGH-VOLTAGE CATHODE AND REDOX SHUTTLE CONFERRING OVERCHARGE PROTECTION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-01-04 — — US disclosed
US-20150372333-A1 NON-AQUEOUS REDOX FLOW BATTERIES INCLUDING 3,7-PERFLUOROALKYLATED PHENOTHIAZINE DERIVATIVES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2015-12-24 — — US disclosed
US-20150372333-A1 NON-AQUEOUS REDOX FLOW BATTERIES INCLUDING 3,7-PERFLUOROALKYLATED PHENOTHIAZINE DERIVATIVES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2015-12-24 — — 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 (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-10892525-B2 Rechargeable batteries including high-voltage cathode and redox shuttle conferring overcharge protection PRDX2, LPO, PAOX SNCA 1634/4885CYP1A2 575/4885LMNA 2850/4885
US-20150372333-A1 NON-AQUEOUS REDOX FLOW BATTERIES INCLUDING 3,7-PERFLUOROALKYLATED PHENOTHIAZINE DERIVATIVES GPX4, VDAC3, AQP1 SNCA 2544/4885CYP1A2 365/4885LMNA 3258/4885

“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.

Send feedback