SCHEMBL16706697

SCHEMBL16706697

C=C(NCc1cccc(C(F)(F)F)c1)c1csc(CN(Cc2ccc(C)cc2)Cc2ccc3c(c2)OCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
NR1H4 Q96RI1 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ACHE P22303 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL16706769 0.95 PPARG (0.43) PPARGLMNATSHRHTTALDH1A1
SCHEMBL16706720 0.95 PPARG (0.43) PPARGLMNATSHRHTTALDH1A1
SCHEMBL16706731 0.92 ALDH1A1 (0.42) PPARGLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL16710124 0.91 PPARG (0.51) PPARGNR1H4TDP1LMNATSHR
SCHEMBL16706816 0.91 ACHE (0.46) PPARGLMNATSHRHTTALDH1A1
SCHEMBL16706704 0.91 TDP1 (0.47) TDP1LMNAHTTALDH1A1NPSR1
SCHEMBL16706792 0.90 ACHE (0.42) PPARGLMNAHTTALDH1A1NPSR1
SCHEMBL16706829 0.89 UBE2M (0.46) PPARGTSHRALDH1A1ACHEUBE2M
SCHEMBL16706800 0.88 UBE2M (0.42) PPARGNR1H4LMNATSHRHTT
SCHEMBL16706775 0.88 ACHE (0.40) PPARGLMNATSHRHTTALDH1A1

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-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 PPARG 2922/4885NR1H4 362/4885TDP1 575/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 PPARG 3022/4885NR1H4 334/4885TDP1 593/4885

“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.