Sugi Predict

Sugi Predict / Compounds / SCHEMBL2877352

SCHEMBL2877352

SCHEMBL2877352

O=C=Nc1ccc(Cc2ccc(N=C=O)c(Cc3ccc(N=C=O)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.67
▸ TSHR P16473 1/20 0.67
▸ CYP1A2 P05177 1/20 0.54
▸ TRPA1 O75762 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ P2RY6 Q15077 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 0.30

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
SCHEMBL3024606 1.00 CYP3A4 (0.67) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL16417864 1.00 CYP3A4 (0.67) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL16744444 0.93 CYP3A4 (0.57) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL374837 0.92 CYP3A4 (0.63) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL1396314 0.91 CYP3A4 (0.54) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL10635526 0.90 CYP3A4 (0.62) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL11345977 0.90 CYP3A4 (0.57) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL12427393 0.87 CYP3A4 (0.50) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL1396400 0.87 CYP3A4 (0.67) CYP3A4TSHRCYP1A2TRPA1TDP1
SCHEMBL12386442 0.87 CYP3A4 (0.50) CYP3A4TSHRCYP1A2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637667-B2 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2017-05-02 — — US claimed
US-20100071829-A1 Accelerated Curing Adhesive For Wood Composites LOUISIANA-PACIFIC CORPORATION 2010-03-25 — — US claimed
US-20100075153-A1 Catalyzed Isocyanate Adhesive System For Wood Composites LOUISIANA-PACIFIC CORPORATION 2010-03-25 — — US claimed
EP-1434811-B1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT HENKEL AG & CO KGAA (DE) 2010-03-24 — — EP claimed
US-20050032973-A1 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2005-02-10 — — US claimed
EP-0728768-B1 Phosphine groups linked to polymer side chains and their metal complexes SYNGENTA PARTICIPATIONS AG (CH) 2002-08-28 — — EP claimed
EP-0729969-B1 Silated ferrocene-diphosphine ligands, inorganic or polymeric organic support to which these ligands are bound and metal complexes thereof, and their preparation and use NOVARTIS AG (CH) 2000-08-16 — — EP claimed
EP-0729969-A1 Silated ferrocene-diphosphine ligands, inorganic or polymeric organic support to which these ligands are bound and metal complexes thereof, and their preparation and use CIBA-GEIGY AG (CH) 1996-09-04 — — EP claimed
EP-0728768-A2 Phosphine groups linked to polymer side chains and their metal complexes CIBA-GEIGY AG (CH) 1996-08-28 — — EP claimed
US-5298576-A An epoxy resin and a urethane compound with a hydroxy group TORAY INDUSTRIES, INC. (JP) 1994-03-29 — — US claimed
US-4792586-A ANNEALING BLEND WITH IMPACT MODIFIER AND POLYISOCYANATE GENERAL ELECTRIC COMPANY (US) 1988-12-20 — — US claimed
US-20220015358-A1 Encapsulated Biocides ARXADA AG (CH) 2022-01-20 — — US disclosed
US-20210137109-A1 ENCAPSULATION OF HERBICIDES TO REDUCE CROP INJURY MONSANTO TECHNOLOGY LLC (US) 2021-05-13 — — US disclosed
US-10813352-B2 Encapsulation of herbicides to reduce crop injury MONSANTO TECHNOLOGY LLC (US) 2020-10-27 — — US disclosed
WO-2020099567-A1 ENCAPSULATED BIOCIDES LONZA LTD (CH) 2020-05-22 — — WO disclosed
US-4209433-A CROSSLINKING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1980-06-24 — — US disclosed
US-4188478-A Initiators for lactam polymerization having first functional group,intermediate group, second functional group THE POLYMER CORPORATION (US) 1980-02-12 — — US disclosed
US-4118410-A Polyphenyl-polymethylene-polyisocyanate mixtures GOTTFRIED REUTER GMBH I.L. (DE) 1978-10-03 — — US disclosed
US-3954825-A FROM A POLYAMINE AND A POLYISOCYANATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 — — US disclosed
US-3945876-A Bonding with polyisocyanates E. I. DUPONT DE NEMOURS & COMPANY (US) 1976-03-23 — — 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 (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-20220015358-A1 Encapsulated Biocides PCBP1, PUF60, PNN CYP3A4 2493/4885TSHR 4741/4885CYP1A2 2955/4885
US-10813352-B2 Encapsulation of herbicides to reduce crop injury HAGH, HACL2, HDHD5 CYP3A4 2624/4885TSHR 3826/4885CYP1A2 1065/4885
US-20210137109-A1 ENCAPSULATION OF HERBICIDES TO REDUCE CROP INJURY HAGH, HACL2, HDHD5 CYP3A4 2624/4885TSHR 3826/4885CYP1A2 1065/4885

“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.