SCHEMBL22969206

SCHEMBL22969206

C=CCSC1=NCCCS1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
NOS3 P29474 2/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 4/20 0.35
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
APOBEC3A P31941 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL338906 0.88
SCHEMBL11195105 0.86 LMNA (0.40) LMNAHPGDPOLBMEN1ALOX12
SCHEMBL6032777 0.74
SCHEMBL6244223 0.69 LMNA (0.39) LMNAHPGDPOLBMEN1ALOX12
SCHEMBL11597023 0.67 ALDH1A1 (0.37) NOS1NOS2NOS3LMNAHPGD
SCHEMBL5991335 0.66
SCHEMBL8377167 0.65 KDM4E (0.37) NOS1NOS2NOS3LMNAHPGD
SCHEMBL8906024 0.64
SCHEMBL9387244 0.64
SCHEMBL6033378 0.63 LMNA (0.47) NOS1NOS2NOS3LMNAHPGD

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-20210038610-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR HYPOXIC INJURY, ISCHAEMIA-REPERFUSION INJURY AND INFLAMMATION, CELL PROTECTION AGENT FOR TRANSPLANTATION, AND BIO-PRESERVATION AGENT SCENT SCIENCE INTERNATIONAL INC. (JP) 2021-02-11 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-20210038610-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR HYPOXIC INJURY, ISCHAEMIA-REPERFUSION INJURY AND INFLAMMATION, CELL PROTECTION AGENT FOR TRANSPLANTATION, AND BIO-PRESERVATION AGENT TRPA1, TRPV1, TRPM8 NOS1 263/4885NOS2 109/4885NOS3 227/4885

“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.