SCHEMBL6448849

SCHEMBL6448849

N=C(NN)c1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.48
F12 P00748 1/20 0.48
NCF1 P14598 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
BACE1 P56817 1/20 0.48
RAB9A P51151 2/20 0.46
PLG P00747 1/20 0.45
CYP2A6 P11509 1/20 0.44
CNR2 P34972 5/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41

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
SCHEMBL6449042 0.84 RAB9A (0.47) PLAUF12NCF1NOS3NOS1
SCHEMBL6454159 0.83 RAB9A (0.38) PLAUF12NCF1NOS3NOS1
SCHEMBL5655604 0.81 RAB9A (0.62) PLAUF12NCF1NOS3NOS1
SCHEMBL5598284 0.79 PLAU (0.59) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL5729154 0.78 PLAU (0.57) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL7002084 0.78 PLAU (0.57) PLAUF12NCF1NOS3NOS1
SCHEMBL25482213 0.76 CYP2A6 (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL3816448 0.76 PLAU (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL29358323 0.74 CNR2 (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL28492272 0.74 CNR2 (0.53) PLAUF12NCF1NOS3NOS1

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC PLAU 3775/4885F12 2681/4885NCF1 1632/4885

“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.