Sugi Predict

Sugi Predict / Compounds / SCHEMBL1962036

SCHEMBL1962036

SCHEMBL1962036

COC(=O)C(C)N=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 6/20 0.52
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL8259717 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL8126152 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL8125280 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL13201409 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL1962034 1.00 MIF (0.52) MIFCA1CA2KMT2AMEN1
SCHEMBL22832244 0.85 MIF (0.42) MIFCA1CA2KMT2AMEN1
SCHEMBL13696288 0.85 MIF (0.42) MIFCA1CA2KMT2AMEN1
SCHEMBL11128185 0.83 MIF (0.50) MIFCA1CA2KMT2AMEN1
SCHEMBL11128186 0.83 MIF (0.50) MIFCA1CA2KMT2AMEN1
SCHEMBL1959830 0.83 MEN1 (0.50) MIFKMT2AMEN1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669046-B Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2021-07-06 — — CN disclosed
CN-110669046-A Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2020-01-10 — — CN disclosed
CN-102964305-B Chiral tetrahydroimidazolidine compound with CnFmH2n+1-m structure unit and synthesis method thereof UNIV WUHAN 2015-01-28 — — CN disclosed
US-8552206-B2 NF-κB inhibitors and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2013-10-08 — — US disclosed
US-8044065-B2 Benzothienopyridines for use as inhibitors of Eg5 kinesin ALTANA PHARMA AG (DE) 2011-10-25 — — US disclosed
US-20110144336-A1 Method for Preparation of Piperazindione Derivatives BASF SE (DE) 2011-06-16 — — US disclosed
US-7858808-B2 Multi-substituted imidazolines and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-12-28 — — US disclosed
EP-1781667-B1 BENZOTHIENOPYRIDINES FOR USE AS INHIBITORS OF EG5 KINESIN 4SC AG (DE) 2010-11-03 — — EP disclosed
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2010-08-12 — — US disclosed
US-20100183550-A1 Benzothienopyridines For Use As Inhibitors Of EG5 Kinesin VENNEMANN MATTHIAS 2010-07-22 — — US disclosed
WO-2003101954-A2 NF-KB INHIBITORS AND USES THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-11 — — WO disclosed
WO-2003101969-A1 MULTI-SUBSTITUDED IMIDAZOLINES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-11 — — WO disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 — — US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 — — US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 — — US disclosed
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 — — US disclosed
US-5278316-A Indoles WARNER-LAMBERT COMPANY (US) 1994-01-11 — — US disclosed
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 — — EP disclosed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 — — WO disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 — — 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 (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-20100183550-A1 Benzothienopyridines For Use As Inhibitors Of EG5 Kinesin KIF5A, KIF5C, KIF5B MIF 4356/4885CA1 4161/4885CA2 2838/4885
US-20110144336-A1 Method for Preparation of Piperazindione Derivatives H1-0, H1-3, H1-2 MIF 4871/4885CA1 2905/4885CA2 2553/4885
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof NFKBIA, IKBKB, CHUK MIF 41/4885CA1 2691/4885CA2 1350/4885

“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.