SCHEMBL29338762

SCHEMBL29338762

CC(C)c1cc(N)nc(F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.55
NOS3 P29474 5/20 0.55
NOS1 P29475 5/20 0.55
HTR1B P28222 1/20 0.38
HTR2B P41595 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR2 Q13324 1/20 0.35
HRH3 Q9Y5N1 5/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.32
NPC1 O15118 1/20 0.31
SCN4A P35499 1/20 0.31
RAB9A P51151 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
SCHEMBL19506734 0.77 NOS3 (0.39) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL12015758 0.77 NOS2 (0.59) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL7769935 0.76 NOS2 (0.63) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL2717960 0.76 NOS2 (0.57) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL15741417 0.75
SCHEMBL28303965 0.74 NOS2 (0.55) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL1706050 0.74 NOS2 (0.55) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL2717883 0.74 NOS3 (0.50) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL10264860 0.73 NOS2 (0.65) NOS2NOS3NOS1HTR1BHTR2B
SCHEMBL28094104 0.72 NOS3 (0.44) NOS2NOS3NOS1HTR1BHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO 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-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 NOS2 1075/4885NOS3 1318/4885NOS1 1279/4885

“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.