SCHEMBL17359369

SCHEMBL17359369

COCCOC(=O)CN1c2ccc(C(F)(F)F)cc2Sc2cc(C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.42
AR P10275 1/20 0.42
PPARG P37231 2/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL17356863 0.94 ALDH1A1 (0.44) FPR2ARPPARGHPGDNPSR1
SCHEMBL17359359 0.86 PPARG (0.55) ARPPARGHPGDNPSR1ALDH1A1
SCHEMBL17359352 0.79 TP53 (0.48) FPR2HPGDNPSR1KDM4EALDH1A1
SCHEMBL17359358 0.77 FPR2 (0.54) FPR2HPGDNPSR1KDM4EALDH1A1
SCHEMBL17359354 0.76 RAD52 (0.47) FPR2NPSR1KDM4EALDH1A1HTT
SCHEMBL17359367 0.74 PPARG (0.45) FPR2PPARGNPSR1ALDH1A1HTT
SCHEMBL17356852 0.72 FPR2 (0.50) FPR2HPGDNPSR1KDM4EALDH1A1
SCHEMBL17359357 0.72 KDM4E (0.39) FPR2HPGDKDM4EALDH1A1HTT
SCHEMBL17359364 0.71 BCHE (0.60) HPGDNPSR1KDM4EHTTKMT2A
SCHEMBL29865250 0.71 TP53 (0.47) FPR2HPGDNPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20150372333-A1 NON-AQUEOUS REDOX FLOW BATTERIES INCLUDING 3,7-PERFLUOROALKYLATED PHENOTHIAZINE DERIVATIVES GPX4, VDAC3, AQP1 FPR2 1531/4885AR 2426/4885PPARG 421/4885

“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.