SCHEMBL25652152

SCHEMBL25652152

CCc1cc(C)ncc1CSc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
DHFR P00374 6/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL25652161 0.85 UHRF1 (0.42) NOS3NOS1NOS2DHFRALDH1A1
SCHEMBL21558452 0.76 ALDH1A1 (0.39) DHFRALDH1A1MEN1KMT2ANPC1
SCHEMBL7117731 0.73 NOS3 (0.48) NOS3NOS1NOS2DHFRSLC6A2
SCHEMBL5659078 0.72 MEN1 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL25652151 0.71 NOS3 (0.37) NOS3NOS1NOS2DHFRALDH1A1
SCHEMBL25652147 0.71 ALDH1A1 (0.37) NOS3NOS2DHFRALDH1A1MEN1
SCHEMBL14917587 0.70 NOS3 (0.47) NOS3NOS1NOS2DHFRSLC6A2
SCHEMBL25652154 0.70 NOS3 (0.42) NOS3NOS1NOS2DHFRSMN1; SMN2
SCHEMBL5655615 0.69 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL8934135 0.68 NOS3 (0.53) NOS3NOS1NOS2DHFRALDH1A1

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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
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.