Sugi Predict

Sugi Predict / Compounds / SCHEMBL2226439

SCHEMBL2226439

SCHEMBL2226439

COC(=O)c1ccc(C#N)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PPARG P37231 2/20 0.51
▸ NCOA1 Q15788 2/20 0.51
▸ NCOA3 Q9Y6Q9 2/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.41
▸ S1PR2 O95136 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38

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
SCHEMBL7020928 0.81 HDAC8 (0.62) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL5869100 0.81 HDAC3 (0.54) L3MBTL1TSHRHPGDATMALDH1A1
SCHEMBL3960184 0.80 DAO (0.48) L3MBTL1HPGDHDAC8S1PR2S1PR4
SCHEMBL70027 0.80 NPSR1 (0.67) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL352339 0.79 L3MBTL1 (0.56) LMNAL3MBTL1TSHRHPGDHDAC8
SCHEMBL20786824 0.78 KDM4E (0.49) LMNAL3MBTL1HPGDHDAC8S1PR2
SCHEMBL12670964 0.77 S1PR1 (0.50) LMNAL3MBTL1TSHRHPGDMAPK1
SCHEMBL6975025 0.76 NPSR1 (0.46) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL1076318 0.76 L3MBTL1 (0.54) NPSR1LMNAPPARGNCOA1NCOA3
SCHEMBL28426948 0.76 NPSR1 (0.46) NPSR1LMNAPPARGNCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955448-B Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-02-03 — — CN disclosed
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 — — US disclosed
US-20220127258-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2022-04-28 — — US disclosed
EP-3919489-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2021-12-08 — — EP disclosed
CN-112955448-A Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2021-06-11 — — CN disclosed
WO-2020156241-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2020-08-06 — — WO disclosed
CN-105593232-B Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors 华北制药集团新药研究开发有限责任公司 2018-06-26 — — CN disclosed
CN-105593232-A Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD 2016-05-18 — — CN disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO disclosed
US-20060293343-A1 Pyrimidine derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-12-28 — — US disclosed
US-6174883-B1 ENZYME INHIBITORS OF PROSTAGLANDIN H2 SYNTHASE, 5-LIPOXYGENASE; INHIBITORS OF INTERLEUKIN-1 BIOSYNTHESIS; ANALGESICS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; BONE, CONNECTIVE TISSUE METABOLISM AND SKIN DISORDERS PFIZER INC. 2001-01-16 — — US disclosed
US-5919809-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1999-07-06 — — US disclosed
EP-0393936-B1 3-substituted-2-oxindole derivatives as antiinflammatory agents PFIZER (US) 1995-02-22 — — EP disclosed
US-5300655-A 2-carboxy-thiophene derivatives PFIZER INC. (US) 1994-04-05 — — US disclosed
US-5290802-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1994-03-01 — — US disclosed
US-5047554-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1991-09-10 — — US disclosed
EP-0393936-A1 3-substituted-2-oxindole derivatives as antiinflammatory agents PFIZER INC. (US) 1990-10-24 — — EP 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-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 NPSR1 2433/4885LMNA 1423/4885PPARG 4045/4885
US-20060293343-A1 Pyrimidine derivatives PDE4A, PDE4B, PDE5A NPSR1 1445/4885LMNA 4490/4885PPARG 1157/4885
US-20220127258-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP46A1, NR1H4, CYP7A1 NPSR1 880/4885LMNA 3818/4885PPARG 45/4885

“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.