SCHEMBL21160417

SCHEMBL21160417

O=Cc1cc2ccc(N(CCO)CCO)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.46
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL21234766 0.91 CYP2A6 (0.39) CYP2A6ALDH1A1KMT2AMEN1LMNA
SCHEMBL21160425 0.90 CYP2A6 (0.38) CYP2A6TDP1ALDH1A1TSHRLMNA
SCHEMBL21036814 0.86 CYP2A6 (0.44) CYP2A6ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL21234933 0.78 ALDH1A1 (0.32) TDP1ALDH1A1TSHRKMT2AMAPT
SCHEMBL21234765 0.77 CYP2A6 (0.40) CYP2A6
SCHEMBL21234686 0.76 CYP2A6 (0.53) CYP2A6TDP1ALDH1A1KMT2AMAPT
SCHEMBL25003651 0.74
SCHEMBL24991952 0.74 CISD1 (0.42) ALDH1A1KMT2AMAPTMEN1
SCHEMBL24992673 0.73
SCHEMBL24991969 0.72 CYP2A6 (0.36) CYP2A6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011658-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 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 (5 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 CYP2A6 4407/4885TDP1 2012/4885ALDH1A1 3152/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN CYP2A6 4362/4885TDP1 2196/4885ALDH1A1 3475/4885
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885TDP1 137/4885ALDH1A1 422/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CYP2A6 4407/4885TDP1 2012/4885ALDH1A1 3152/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885TDP1 137/4885ALDH1A1 422/4885

“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.