SCHEMBL25652153

SCHEMBL25652153

CCc1cc(C)ncc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PDXK O00764 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
UHRF1 Q96T88 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL11013326 0.89 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PDXK
Hydrochloric Acid SCHEMBL11468401 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10PDXK
SCHEMBL7117731 0.87 NOS3 (0.48) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL20342481 0.80 SLC6A2 (0.41) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL14917587 0.79 NOS3 (0.47) NOS3NOS1NOS2KDM4ELMNA
SCHEMBL25652154 0.79 NOS3 (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL19824289 0.78 UHRF1 (0.41) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL7880211 0.78 UHRF1 (0.46) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL11013415 0.77 SMN1; SMN2 (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24868656 0.77 NOS3 (0.44) NOS3NOS1NOS2KDM4EALDH1A1

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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD NOS3 1523/4885NOS1 1826/4885NOS2 1505/4885

“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.