SCHEMBL21037339

SCHEMBL21037339

O=Cc1ccc2c(c1)SCCN2CCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 12/20 0.41
NOS1 P29475 12/20 0.41
NOS2 P35228 6/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A3 P47895 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL21160476 0.80 EGFR (0.45) ALDH1A1HPGD
SCHEMBL24991972 0.78 ALDH1A1 (0.53) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL29100113 0.76 ALDH1A1 (0.62) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL7528285 0.74 MAPT (0.50) ALDH1A1MEN1MAPTKMT2A
SCHEMBL21036846 0.73 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL18902663 0.70 MEN1 (0.51) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL15652707 0.70 ALDH1A1 (0.41) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL22295812 0.70 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL21160621 0.69 MAPT (0.51) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL14265691 0.69 MAPT (0.43) ALDH1A1MEN1MAPTKMT2A

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
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP 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 (2 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF NOS3 4214/4885NOS1 4212/4885NOS2 4370/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF NOS3 4214/4885NOS1 4212/4885NOS2 4370/4885

“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.