SCHEMBL13830973

SCHEMBL13830973

CC(C)(C)Cc1cccc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.45
NOS3 P29474 3/20 0.45
IDH1 O75874 1/20 0.42
BACE1 P56817 3/20 0.42
APP P05067 1/20 0.42
NOS1 P29475 5/20 0.42
MCHR1 Q99705 2/20 0.38
ASIC3 Q9UHC3 1/20 0.36
CCR4 P51679 1/20 0.36
MPO P05164 1/20 0.35
CPB2 Q96IY4 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34

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
SCHEMBL17225307 0.89 IDH1 (0.49) NOS2NOS3IDH1BACE1APP
SCHEMBL2476938 0.84 KCNH2 (0.41) NOS2NOS1CCR4
SCHEMBL25704869 0.80 NOS1 (0.47) NOS2NOS3IDH1BACE1APP
SCHEMBL31508058 0.79 BACE1 (0.42) NOS2NOS3BACE1APPNOS1
SCHEMBL23582323 0.78 PLA2G10 (0.43) NOS2NOS3BACE1APPNOS1
SCHEMBL1912681 0.77 MEN1 (0.47) NOS2NOS3CCR4MPO
SCHEMBL30376677 0.76
SCHEMBL91633 0.76
SCHEMBL12776106 0.75 KCNH2 (0.38) NOS2NOS1CCR4
SCHEMBL11955022 0.75 CYP3A4 (0.42) IDH1CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2022-02-17 US disclosed
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9634268-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2017-04-25 US disclosed
US-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-11-15 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 (3 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-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES AP1M1, EXOC1, EMC1 NOS2 3487/4885NOS3 3669/4885IDH1 1219/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 NOS2 3175/4885NOS3 2987/4885IDH1 642/4885
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 NOS2 1181/4885NOS3 1631/4885IDH1 962/4885

“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.