SCHEMBL25147342

SCHEMBL25147342

CCCc1ccc(N=C(N)N)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.73
ADRA2A P08913 7/20 0.65
ADRA2B P18089 5/20 0.65
ADRA2C P18825 5/20 0.65
POLB P06746 1/20 0.61
SLC22A2 O15244 5/20 0.57
NOS3 P29474 2/20 0.57
NOS1 P29475 2/20 0.57
NOS2 P35228 2/20 0.57
SLC22A1 O15245 4/20 0.56
SLC22A3 O75751 4/20 0.56
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
AOC3 Q16853 1/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL5447808 0.90 PLAU (0.66) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL16562419 0.84 PLAU (1.00) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL2492526 0.83 ADRA2A (0.65) PLAUADRA2AADRA2BADRA2CPOLB
Hydroxyamine SCHEMBL17181093 0.78 LPL (0.61) ADRA2AADRA2BADRA2CCA2
SCHEMBL27685590 0.77 ADRA2A (0.71) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL3754183 0.77 NOS3 (0.72) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL20852371 0.77 LPL (0.48) PLAUNOS3NOS1NOS2CA2
SCHEMBL142480 0.75 LPL (0.62) ADRA2AADRA2BADRA2CPOLBCA2
SCHEMBL10203013 0.75 PLK1 (0.47) PLAUPOLBNOS3NOS1NOS2
SCHEMBL22623279 0.75 PLAU (0.62) PLAUADRA2AADRA2BADRA2CPOLB

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 PLAU 3443/4885ADRA2A 3816/4885ADRA2B 2562/4885

“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.