Sugi Predict

Sugi Predict / Compounds / SCHEMBL21160411

SCHEMBL21160411

SCHEMBL21160411

CN(CCO)c1cc2sccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ GLA P06280 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL24991964 0.83 GPR35 (0.41) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL21037879 0.83 TDP1 (0.33) TDP1
SCHEMBL21160618 0.81 GPR35 (0.33) GPR35ALDH1A1KDM4EMAPK1
SCHEMBL21036993 0.71 CYP2A6 (0.35) ALDH1A1KDM4E
SCHEMBL21608674 0.70 GPR35 (0.35) GPR35GAAALDH1A1HDAC3HDAC4
SCHEMBL13206634 0.69 TDP1 (0.44) ALDH1A1HDAC1POLBL3MBTL1TDP1
SCHEMBL21160725 0.69 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL21160464 0.69 — —
SCHEMBL21160614 0.69 APP (0.40) ALDH1A1L3MBTL1TDP1KDM4EMAPK1
SCHEMBL21160449 0.68 EGFR (0.34) ALDH1A1L3MBTL1TDP1KDM4EMAPK1

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 6 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-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
EP-3690002-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF East China University of Science and Technology (CN) 2020-08-05 — — EP 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 (3 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 GPR35 4116/4885GAA 1596/4885ALDH1A1 3152/4885
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN GPR35 3611/4885GAA 2381/4885ALDH1A1 3475/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF GPR35 4116/4885GAA 1596/4885ALDH1A1 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.