Sugi Predict

Sugi Predict / Compounds / SCHEMBL633684

SCHEMBL633684

SCHEMBL633684

O=C(c1ccccc1)C(Cl)CCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATM Q13315 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ CES1 P23141 4/20 0.44
▸ CES2 O00748 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL3728429 0.84 SLC6A2 (0.54) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL5952562 0.83 MAPK1 (0.50) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL18336234 0.82 GSK3B (0.48) MAPK1ALDH1A1GSK3BMDM2L3MBTL1
SCHEMBL8967748 0.82 MDM2 (0.44) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL29066943 0.81 MDM2 (0.43) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL10522721 0.81 SLC6A2 (0.45) ALDH1A1MDM2NPC1RAB9ACES1
SCHEMBL7965904 0.80 CES1 (0.48) MAPK1ALDH1A1GSK3BTRPA1HIF1A
Ethylene SCHEMBL10638434 0.79 MDM2 (0.42) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL633402 0.79 SLC6A2 (0.50) MAPK1MDM2TDP1L3MBTL1ATM
SCHEMBL7447645 0.78 MAPK1 (0.45) MAPK1ALDH1A1GSK3BTRPA1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 — — US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 — — US disclosed
CN-107869054-A Yarn fabric that adhesive is reinforced, its manufacture method and application thereof 约翰斯曼维尔欧洲有限公司 2018-04-03 — — CN disclosed
CN-104031054-A Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC 2014-09-10 — — CN disclosed
CN-1585772-B chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC 2014-06-04 — — CN disclosed
CN-102584726-B Method for preparing penconazole serving as bacteriacide ZHEJIANG HEBEN PESTICIDE & CHEMICALS CO LTD 2014-05-14 — — CN disclosed
CN-102584726-A Method for preparing penconazole serving as bacteriacide ZHEJIANG HEBEN PESTICIDE & CHEMICALS CO LTD 2012-07-18 — — CN disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 — — EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 — — WO disclosed
CN-1911930-A Chemokine receptor anagonists, methods and use therefor MILLENNIUM PHARM INC (US) 2007-02-14 — — CN disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 — — CN disclosed
CN-1585772-A Chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC (US) 2005-02-23 — — CN disclosed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 — — US disclosed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 — — EP disclosed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 — — WO disclosed
US-4517318-A BENZOPHENONE AND TRANSITION METALCOMPOUNT ACCELERATOR Sekisu Kagaku Kogyo Kabushiki Kaisha (JP) 1985-05-14 — — US disclosed
US-4495315-A BENZOPHENONE-TYPE COMPOUNDS AS DEGRADING AGENT- TRANSITION METAL ACCELERATORS SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-01-22 — — US disclosed
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 — — US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 — — US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 — — 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-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 MAPK1 1425/4885ALDH1A1 521/4885GSK3B 217/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 MAPK1 1425/4885ALDH1A1 521/4885GSK3B 217/4885

“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.