SCHEMBL21036840

SCHEMBL21036840

CN(CCO)c1ccc(-c2cccs2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
MAPT P10636 2/20 0.44
LTA4H P09960 1/20 0.42
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL24991914 0.79 PBK (0.35) TDP1ALDH1A1NPC1L3MBTL1MAPT
SCHEMBL28780606 0.78 ALDH1A1 (0.49) DPP4TDP1ALDH1A1KDM4ERAB9A
SCHEMBL13206634 0.78 TDP1 (0.44) TDP1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL8133038 0.76 DPP4 (0.49) DPP4TDP1ALDH1A1KDM4ERAB9A
SCHEMBL21036842 0.74 DPP4 (0.41) DPP4ALDH1A1KDM4EGAAMAPT
SCHEMBL25002876 0.74 PBK (0.33)
Alpha-Terthienyl SCHEMBL5347420 0.71 DPP4 (0.64) DPP4TDP1ALDH1A1KDM4ERAB9A
SCHEMBL5156657 0.69 POLB (0.33) ALDH1A1KDM4EL3MBTL1MAPTPOLB
SCHEMBL25002711 0.69 APP (0.33) ALDH1A1
SCHEMBL24992338 0.69 CYP2A6 (0.35) ALDH1A1KDM4E

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 DPP4 3131/4885TDP1 2012/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF DPP4 3131/4885TDP1 2012/4885ALDH1A1 3152/4885

“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.