SCHEMBL30401019

SCHEMBL30401019

Nc1nccc(C(F)(F)F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.39
NOS2 P35228 6/20 0.39
HRH4 Q9H3N8 1/20 0.35
NOS1 P29475 2/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
BACE1 P56817 2/20 0.32
F12 P00748 1/20 0.32
PLAU P00749 1/20 0.32
NCF1 P14598 1/20 0.32
S1PR1 P21453 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
LOX P28300 1/20 0.32
ADORA2A P29274 1/20 0.31
PIK3CD O00329 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL7259602 0.78 NOS3 (0.33) NOS3NOS2HRH4TSHRLOXL2
SCHEMBL157195 0.78 NOS3 (0.46) NOS3NOS2HRH4NOS1GLA
SCHEMBL29435659 0.78 NOS3 (0.46) NOS3NOS2HRH4NOS1GLA
SCHEMBL30356572 0.77 NOS3 (0.41) NOS3NOS2NOS1GLAPOLB
SCHEMBL31358429 0.75 NOS3 (0.39) NOS3NOS2NOS1GLAPOLB
SCHEMBL31097846 0.75 NOS2 (0.39) NOS3NOS2NOS1GLAPOLB
SCHEMBL21092870 0.75 S1PR1 (0.33) NOS3NOS2HRH4GAATSHR
SCHEMBL21598657 0.75 KMO (0.35) NOS3NOS2PIK3CD
SCHEMBL11710154 0.75 NOS3 (0.39) NOS3NOS2NOS1GLAPOLB
SCHEMBL20088854 0.75 NOS2 (0.39) NOS3NOS2NOS1GLAPOLB

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-12338235-B2 Heterocyclic compounds and their use for treatment of helminthic infections and diseases CELGENE CORPORATION (US) 2025-06-24 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-12338235-B2 Heterocyclic compounds and their use for treatment of helminthic infections and diseases CYP8B1, HAX1, HRH4 NOS3 1702/4885NOS2 1393/4885HRH4 3/4885

“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.