SCHEMBL4395522

SCHEMBL4395522

NC(=O)CCCn1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 17/20 0.64
▸ EGLN3 Q9H6Z9 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5805139 0.94 TBXAS1 (0.72) TBXAS1EGLN3
SCHEMBL11011547 0.93 TBXAS1 (0.75) TBXAS1EGLN3
SCHEMBL45932 0.90 EGLN3 (0.69) TBXAS1EGLN3
Hydrochloric Acid SCHEMBL9850785 0.89 EGLN3 (0.67) TBXAS1EGLN3
Hydrochloric Acid SCHEMBL2674174 0.89 EGLN3 (0.67) TBXAS1EGLN3
Water SCHEMBL7439834 0.89 EGLN3 (0.67) TBXAS1EGLN3
SCHEMBL14532409 0.87 L3MBTL1 (0.55) TBXAS1EGLN3L3MBTL1
SCHEMBL2436663 0.85 TBXAS1 (0.86) TBXAS1EGLN3
SCHEMBL8585157 0.84 TBXAS1 (0.66) TBXAS1EGLN3L3MBTL1
SCHEMBL23219687 0.83 TBXAS1 (0.59) TBXAS1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 — — EP claimed
CN-102037157-A Adhesion promotion of metal to laminate with a multi-functional compound ENTHONE 2011-04-27 — — CN claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US claimed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 — — EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 — — WO claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 — — EP claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 — — US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 — — EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US disclosed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 — — US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 — — US disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 — — WO disclosed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 — — EP disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 — — WO disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 — — WO disclosed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 — — 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 (8 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR TBXAS1 779/4885EGLN3 732/4885L3MBTL1 3602/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 TBXAS1 1653/4885EGLN3 242/4885L3MBTL1 632/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 TBXAS1 1905/4885EGLN3 1734/4885L3MBTL1 2701/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 TBXAS1 2282/4885EGLN3 395/4885L3MBTL1 660/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 TBXAS1 2296/4885EGLN3 390/4885L3MBTL1 659/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 TBXAS1 2538/4885EGLN3 431/4885L3MBTL1 443/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 TBXAS1 2251/4885EGLN3 401/4885L3MBTL1 656/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 TBXAS1 183/4885EGLN3 1545/4885L3MBTL1 4026/4885

“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.

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