SCHEMBL17225307

SCHEMBL17225307

CC(C)(C)Cc1cccc(-c2cccc(N)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.49
ASIC3 Q9UHC3 1/20 0.44
NOS3 P29474 4/20 0.39
NOS2 P35228 3/20 0.39
NOS1 P29475 6/20 0.38
BRS3 P32247 1/20 0.37
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
MCHR1 Q99705 2/20 0.35
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
PDPK1 O15530 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL13830973 0.89 NOS2 (0.45) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL13623090 0.79 ASIC3 (0.48) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL2476938 0.78 KCNH2 (0.41) NOS2NOS1
SCHEMBL17225282 0.77 IDH1 (0.42) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL17615254 0.76 NOS1 (0.46) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL1073895 0.76 ASIC3 (0.68) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL14399309 0.76 ASIC3 (0.48) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL29601960 0.76 ASIC3 (0.68) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL14399310 0.76 ASIC3 (0.48) IDH1ASIC3NOS3NOS2NOS1
SCHEMBL13615803 0.75 IDH1 (0.49) IDH1ASIC3NOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 IDH1 1230/4885ASIC3 2108/4885NOS3 2246/4885

“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.