SCHEMBL21160426

SCHEMBL21160426

OCCNc1ccc2ccsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CSNK2A1 P68400 2/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MMP14 P50281 1/20 0.37
BLM P54132 1/20 0.37
CASP6 P55212 1/20 0.37
HDAC1 Q13547 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
KCNH3 Q9ULD8 1/20 0.34
HTR3E A5X5Y0 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
SCHEMBL10747755 0.79 ALDH1A1 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL11935635 0.78 ALDH1A1 (0.36) ALDH1A1ABL1PIM1AURKBSTK17A
SCHEMBL28702492 0.72 CYP2A6 (0.37) CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL29433439 0.72 CYP2A6 (0.37) CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4187399 0.72 APP (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL11936109 0.71 HDAC1 (0.39) CYP2D6HDAC1RAB9A
SCHEMBL8808326 0.71 ALDH1A1 (0.64) CYP2D6ALDH1A1ABL1MEN1KMT2A
SCHEMBL25810716 0.70 HDAC1 (0.57) HDAC1
SCHEMBL3874431 0.70 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMMP14
SCHEMBL6152657 0.70 MAPT (0.50) ALDH1A1POLBKCNH3KDM4ERECQL

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-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

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 CYP2D6 4471/4885SLC6A2 4451/4885SLC6A4 4085/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYP2D6 4471/4885SLC6A2 4451/4885SLC6A4 4085/4885

“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.