Sugi Predict

Sugi Predict / Compounds / SCHEMBL4422760

SCHEMBL4422760

SCHEMBL4422760

COc1ccc(C(Cl)C(=O)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ PTGS2 P35354 3/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ CDC42 P60953 1/20 0.46
▸ RAC1 P63000 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CA1 P00915 4/20 0.45

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
SCHEMBL474032 0.84 AKR1C3 (0.54) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL7282004 0.82 CA1 (0.52) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL9451975 0.81 CES2 (0.53) ALDH1A1MAPK1CES2CES1CYP1A2
SCHEMBL4643994 0.81 TSHR (0.44) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL27636910 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2MEN1RAB9AKMT2A
SCHEMBL2506920 0.80 MEN1 (0.51) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL496445 0.79 RAB9A (0.46) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL11850233 0.79 APP (0.52) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL28307551 0.78 L3MBTL1 (0.46) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL27617808 0.78 L3MBTL1 (0.53) L3MBTL1ALDH1A1CES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422750-A The synthesis and application of natural products Dicododendrin and its derivative 重庆大学 2019-03-05 — — CN claimed
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 — — EP claimed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 — — US claimed
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 — — US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 — — US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 — — US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 — — US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 — — CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 — — US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 — — CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 — — US disclosed
CN-1925854-A Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-03-07 — — CN disclosed
CN-1717409-A Pyrazolonaphthyridine derivative GRELAN PHARMACEUTICAL CO (JP) 2006-01-04 — — CN disclosed
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 — — US disclosed
CN-1556702-A Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them — 2004-12-22 — — CN disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 — — US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 — — US disclosed
US-5861359-A WHEAT, SOYBEANS, CORN; PRE- AND POSTEMERGENCE HERBICIDES FMC CORPORATION (US) 1999-01-19 — — US disclosed
WO-1997005115-A1 HERBICIDAL PHENYLMETHOXYPHENYL HETEROCYCLES FMC CORPORATION (US) 1997-02-13 — — WO disclosed
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 — — 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 (7 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 TSHR 584/4885L3MBTL1 2944/4885ALDH1A1 3019/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 TSHR 614/4885L3MBTL1 3618/4885ALDH1A1 3045/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 TSHR 584/4885L3MBTL1 2944/4885ALDH1A1 3019/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 TSHR 584/4885L3MBTL1 2944/4885ALDH1A1 3019/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 TSHR 584/4885L3MBTL1 2944/4885ALDH1A1 3019/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 TSHR 584/4885L3MBTL1 2944/4885ALDH1A1 3019/4885
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 TSHR 688/4885L3MBTL1 2011/4885ALDH1A1 792/4885

“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.