SCHEMBL25879715

SCHEMBL25879715

CCc1cc(Br)c(N)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.47
NOS3 P29474 2/20 0.47
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
MBOAT4 Q96T53 1/20 0.33
NOS1 P29475 1/20 0.32
PDPK1 O15530 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
ADORA2A P29274 1/20 0.32
LMNA P02545 3/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
PIK3CA P42336 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL2389531 0.83 NOS3 (0.45) NOS2NOS3MAPTGAAHRH3
SCHEMBL29127438 0.82 SMN1; SMN2 (0.38) MAPTGAAMBOAT4KDM4EHRH4
SCHEMBL2390670 0.74 NOS3 (0.38) NOS2NOS3MAPTGAAHRH3
SCHEMBL19762452 0.74 MAPT (0.40) NOS2NOS3MAPTGAANOS1
SCHEMBL30461818 0.71 GAA (0.37) MAPTGAAMBOAT4LMNAALDH1A1
SCHEMBL19743392 0.71 GAA (0.37) MAPTGAAMBOAT4LMNAALDH1A1
SCHEMBL17885768 0.68 RAB9A (0.34) NOS2NOS3MBOAT4LMNAALDH1A1
SCHEMBL5865115 0.67 NOS3 (0.45) NOS2NOS3MAPTGAAHRH3
SCHEMBL13789388 0.67 NOS2 (0.61) NOS2NOS3HRH3NOS1PDPK1
SCHEMBL28303960 0.67 NOS2 (0.55) NOS2NOS3MAPTHRH3NOS1

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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 NOS2 3885/4885NOS3 3695/4885MAPT 1555/4885

“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.