Sugi Predict

Sugi Predict / Compounds / SCHEMBL21234686

SCHEMBL21234686

SCHEMBL21234686

CN(C)c1ccc2cc(C=O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 6/20 0.53
▸ CYP2A13 Q16696 1/20 0.41
▸ APP P05067 6/20 0.40
▸ INSR P06213 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ THRB P10828 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ RECQL P46063 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ GSR P00390 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAOA P21397 2/20 0.35
▸ PPARG P37231 2/20 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
SCHEMBL3195279 0.86 CYP2A6 (0.62) CYP2A6CYP2A13APPINSRTERT
SCHEMBL21036814 0.81 CYP2A6 (0.44) CYP2A6APPKDM4EMAPTALDH1A1
SCHEMBL13369347 0.78 CYP2A6 (0.55) CYP2A6CYP2A13APPSMN1; SMN2MAPT
SCHEMBL21160417 0.76 CYP2A6 (0.46) CYP2A6MAPK1SMN1; SMN2TDP1KDM4E
SCHEMBL21160422 0.75 MMP14 (0.40) CYP2A6PPARGGAA
SCHEMBL21234940 0.74 CYP2A6 (0.37) CYP2A6CYP2A13APPINSRTHRB
SCHEMBL23775695 0.74 CYP2A6 (0.60) CYP2A6SMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL21160708 0.73 APP (0.45) APPMEN1MAPTKMT2AALDH1A1
SCHEMBL21234909 0.73 CYP2A6 (0.58) CYP2A6MAPTMAOAHTTMAOB
SCHEMBL20391352 0.73 CYP2A6 (0.58) CYP2A6ALDH1A1

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 5 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-2023011656-A1 FLUORESCENT DYE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 — — 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885CYP2A13 3434/4885APP 1734/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885CYP2A13 3434/4885APP 1734/4885

“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.