Sugi Predict

Sugi Predict / Compounds / SCHEMBL2489876

SCHEMBL2489876

SCHEMBL2489876

In1cnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.56
▸ HTT P42858 4/20 0.54
▸ CYP11B1 P15538 3/20 0.48
▸ CYP11B2 P19099 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ TNF P01375 1/20 0.48
▸ FGFR1 P11362 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ EGLN3 Q9H6Z9 1/20 0.43

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
SCHEMBL222667 0.78 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL7196401 0.77 TDP1 (0.58) TDP1HTTCYP11B1CYP11B2POLB
Water SCHEMBL6097684 0.76 TDP1 (0.52) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL460599 0.73 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL9062626 0.73 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL8668369 0.73 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL5399 0.73 TDP1 (0.59) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL145442 0.73 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL277760 0.73 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL278161 0.73 TDP1 (0.54) TDP1HTTCYP11B1CYP11B2POLB

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389736-A1 UREA COMPOUND CONTAINING 2-HETEROAROMATIC RING SUBSTITUTION, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-06-26 — — EP disclosed
US-12022728-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-06-25 — — US disclosed
WO-2023154962-A1 CGAS INHIBITORS AND USES THEREOF SINHA SUBHASH (US) 2023-08-17 — — WO disclosed
WO-2023150719-A1 ALPHA-METHYLENE AND AMINOMETHYL LACTONES AND LACTAMS FOR TREATMENT OF CLOSTRIDIOIDES DIFFICILE INFECTION (CDI) PURDUE RESEARCH FOUNDATION (US) 2023-08-10 — — WO disclosed
WO-2023149981-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION (US) 2023-08-10 — — WO disclosed
WO-2023149982-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION (US) 2023-08-10 — — WO disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 — — EP disclosed
WO-2023147485-A2 PROTEASOME ENHANCERS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2023-08-03 — — WO disclosed
WO-2023020209-A1 UREA COMPOUND CONTAINING 2-HETEROAROMATIC RING SUBSTITUTION, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-23 — — WO disclosed
US-11552251-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-01-10 — — US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 — — EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 — — US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 — — WO disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 — — US disclosed
WO-2007061695-A2 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061696-A2 SPIROLACTAM BICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 — — EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 — — US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 — — EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 — — WO 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 (4 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 TDP1 958/4885HTT 4541/4885CYP11B1 1492/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 TDP1 216/4885HTT 3670/4885CYP11B1 441/4885
US-11552251-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 TDP1 1253/4885HTT 2278/4885CYP11B1 2065/4885
US-12022728-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 TDP1 1253/4885HTT 2278/4885CYP11B1 2065/4885

“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.