SCHEMBL25652159

SCHEMBL25652159

Cc1cc(C)c(C[S+]([O-])c2ccc(N)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.40
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL25652151 0.86 NOS3 (0.37) UHRF1NOS3NOS1NOS2ALDH1A1
SCHEMBL21558448 0.78 SIRT3 (0.36) NOS1ALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL25652161 0.70 UHRF1 (0.42) UHRF1NOS3NOS1NOS2ALDH1A1
SCHEMBL25652419 0.69 UHRF1 (0.37) UHRF1NOS3NOS1NOS2
SCHEMBL25652156 0.69 NOS2 (0.40) NOS3NOS2
SCHEMBL21558451 0.68 CYP2D6 (0.36) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL317221 0.66 UHRF1 (0.52) UHRF1NOS3NOS1NOS2ALDH1A1
SCHEMBL18868429 0.66 CYP3A4 (0.44) ALDH1A1CYP3A4TDP1
SCHEMBL29707486 0.66 UHRF1 (0.52) UHRF1NOS3NOS1NOS2ALDH1A1
SCHEMBL21558728 0.66 CYP2E1 (0.39) CYP3A4

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 UHRF1 4700/4885NOS3 1523/4885NOS1 1826/4885

“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.