Sugi Predict

Sugi Predict / Compounds / SCHEMBL223852

SCHEMBL223852

SCHEMBL223852

Cc1ccc(N2[C]N(c3ccc(C)cc3)C=C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ CTSG P08311 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ ACHE P22303 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MGLL Q99685 1/20 0.39
▸ ADRB1 P08588 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL12230241 0.69 ACHE (0.50) ELANEF2CTSGCMA1CTRC
SCHEMBL2005353 0.67 ADRB1 (0.45) ELANEF2CTSGCMA1CTRC
SCHEMBL1105689 0.65 F2 (0.39) ELANEF2CTSGCMA1CTRC
P-Xylene SCHEMBL11772917 0.65 ACHE (1.00) ACHETDP1TSHRIDO1LMNA
P-Xylene SCHEMBL11770184 0.65 ACHE (1.00) ACHETDP1TSHRIDO1LMNA
P-Xylene SCHEMBL771 0.65 — —
P-Xylene SCHEMBL460348 0.65 ACHE (1.00) ACHETDP1TSHRIDO1LMNA
SCHEMBL22430825 0.63 ELANE (0.42) ELANEF2CTSGCMA1CTRC
SCHEMBL223853 0.63 MAPT (0.42) ELANEF2CTSGCMA1CTRC
SCHEMBL14269339 0.61 ELANE (0.59) ELANEF2CTSGCMA1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116302-B1 Catalyst complex with a heterocyclic carbene ligand UNIV OF NEW ORLEANS FOUND (US) 2017-02-22 — — EP disclosed
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2016-08-25 — — US disclosed
US-9339805-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-05-17 — — US disclosed
US-9233365-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-01-12 — — US disclosed
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. (US) 2015-07-23 — — US disclosed
US-8859779-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2014-10-14 — — US disclosed
US-20130261296-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2013-10-03 — — US disclosed
US-20120004418-A1 Catalyst Complex With Carbene Ligand MATERIA, INC. 2012-01-05 — — US disclosed
US-7964758-B2 Process for production of 2-(substituted phenyl)-3,3,3-trifluoropropene compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 — — US disclosed
US-7902389-B2 Catalyst complex with carbene ligand MATERIA, INC. 2011-03-08 — — US disclosed
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-24 — — US disclosed
US-20100160642-A1 Catalyst Complex With Carbene Ligand UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION, INC. (US) 2010-06-24 — — US disclosed
US-7622590-B1 Including a metal atom having anionic ligands, at least one nucleophilic carbene ligand, and an alkylidene, vinylidene, or allenylidene ligand; complexes are highly stable to air, moisture and thermal degradation; designed to efficiently carry out a variety of olefin metathesis reactions UNIVERSITY OF NEW ORLEANS FOUNDATION (US) 2009-11-24 — — US disclosed
EP-2116302-A1 Catalyst complex with a heterocyclic carbene ligand University Of New Orleans Foundation (US) 2009-11-11 — — EP disclosed
EP-1115491-B1 CATALYST COMPLEX WITH PHENYLINDENYLIDENE LIGAND UNIV NEW ORLEANS FOUNDATION (US) 2009-08-05 — — EP disclosed
US-20040210055-A1 stable to air, moisture, and thermal degradation; for olefin metathesis NOLAN STEVEN P 2004-10-21 — — US disclosed
EP-1115491-A4 CATALYST COMPLEX WITH CARBENE LIGAND UNIV NEW ORLEANS FOUNDATION (US) 2002-11-20 — — EP disclosed
EP-1115491-A1 CATALYST COMPLEX WITH CARBENE LIGAND University Of New Orleans Foundation (US) 2001-07-18 — — EP disclosed
WO-2000015339-A1 CATALYST COMPLEX WITH CARBENE LIGAND UNIVERSITY OF NEW ORLEANS FOUNDATION (US) 2000-03-23 — — 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 (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-20120004418-A1 Catalyst Complex With Carbene Ligand ZC3H18, ZC3HAV1L, PDCD1LG2 ELANE 892/4885F2 354/4885CTSG 910/4885
US-20040210055-A1 stable to air, moisture, and thermal degradation; for olefin metathesis MDM2, MYC, MYCBP ELANE 764/4885F2 417/4885CTSG 581/4885
US-20130261296-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG ELANE 650/4885F2 291/4885CTSG 971/4885
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG ELANE 650/4885F2 291/4885CTSG 971/4885
US-20100160642-A1 Catalyst Complex With Carbene Ligand ZC3H18, ZC3HAV1L, PDCD1LG2 ELANE 892/4885F2 354/4885CTSG 910/4885
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG ELANE 650/4885F2 291/4885CTSG 971/4885
US-20100160683-A1 Process for Production of 2-(Substituted Phenyl)-3,3,3-Trifluoropropene Compound PEX3, SCO2, LPO ELANE 1055/4885F2 30/4885CTSG 4392/4885

“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.