SCHEMBL2400853

SCHEMBL2400853

CC(C)(C)CCN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.44
KCNH2 Q12809 10/20 0.43
SLC6A5 Q9Y345 6/20 0.41
HSD17B13 Q7Z5P4 3/20 0.40
CYP2D6 P10635 6/20 0.40
CYP3A4 P08684 2/20 0.39
SCD O00767 1/20 0.38
ATM Q13315 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL2399367 0.91 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2399391 0.89 SLC6A9 (0.44) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2398017 0.88 HSD17B13 (0.38) KCNH2HSD17B13TRPM8NOTUM
SCHEMBL2396888 0.88 SLC6A9 (0.41) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2400522 0.88 SLC6A9 (0.41) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2399616 0.86 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2399236 0.85 GRM2 (0.42) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2214205 0.85 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6
SCHEMBL2215538 0.84 LPAR1 (0.40) NOTUM
SCHEMBL2398109 0.84 TRPM8 (0.42) SLC6A9KCNH2SLC6A5HSD17B13CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 SLC6A9 528/4885KCNH2 362/4885SLC6A5 560/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 SLC6A9 511/4885KCNH2 145/4885SLC6A5 596/4885

“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.