SCHEMBL30101796

SCHEMBL30101796

CC(C)Oc1ccc(Br)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNA5 P22460 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4A O75164 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3413974 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1TSHRGAA
SCHEMBL30101817 0.85 AAK1 (0.55) AAK1ALDH1A1KDM4ETDP1KCNA5
SCHEMBL12227519 0.85 KCNA5 (0.42) AAK1KDM4EKCNA5KDM4A
SCHEMBL30101803 0.84 ALDH1A1 (0.48) AAK1ALDH1A1TDP1GAAMAPT
SCHEMBL20869029 0.84 ALDH1A1 (0.48) AAK1ALDH1A1TDP1GAAMAPT
SCHEMBL23275515 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1TSHRGAA
SCHEMBL31758898 0.82 DDR1 (0.45) AAK1ALDH1A1KDM4EGAAMAPT
SCHEMBL2541437 0.82 ALDH1A1 (0.42) AAK1ALDH1A1TDP1KCNA5GAA
SCHEMBL30101769 0.81 LMNA (0.46) AAK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8011978 0.81 AAK1 (0.47) AAK1KCNA5GAASMN1; SMN2KDM4A

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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 AAK1 2583/4885ALDH1A1 677/4885KDM4E 3093/4885

“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.