SCHEMBL23872809

SCHEMBL23872809

CCc1cncc(C)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL20314862 0.87 SMN1; SMN2 (0.34) NOS3NOS1NOS2LMNASMN1; SMN2
SCHEMBL10073172 0.79
SCHEMBL24728089 0.79 DHFR (0.31) LMNASMN1; SMN2L3MBTL1
SCHEMBL21736894 0.78 CYP11B1 (0.32) LMNASMN1; SMN2L3MBTL1
SCHEMBL21937398 0.78 MAPT (0.34) LMNASMN1; SMN2L3MBTL1
SCHEMBL24448361 0.78 LMNA (0.30) LMNASMN1; SMN2L3MBTL1
SCHEMBL24595124 0.73 KDM5A (0.40)
SCHEMBL7126030 0.73 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL23872460 0.72 AOC3 (0.31) NOS3NOS1NOS2
SCHEMBL7124851 0.71 NOS3 (0.38) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 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-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH NOS3 1040/4885NOS1 1182/4885NOS2 1280/4885

“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.