Sugi Predict

Sugi Predict / Compounds / SCHEMBL3836840

SCHEMBL3836840

SCHEMBL3836840

COc1ccc(N=C=O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPK1 P28482 3/20 0.49
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ G6PD P11413 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL31152344 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1CYP3A4HPGD
SCHEMBL1457307 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1MAPTRAB9A
SCHEMBL3836346 0.84 MAPT (0.55) ALDH1A1MAPK1CYP3A4HPGDMAPT
SCHEMBL13237378 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1HPGDTDP1
SCHEMBL14139413 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1MAPTRAB9A
SCHEMBL19135997 0.81 MEN1 (0.38) ALDH1A1KDM4EMAPK1CYP3A4HPGD
SCHEMBL30076337 0.81 MEN1 (0.38) ALDH1A1KDM4EMAPK1CYP3A4HPGD
SCHEMBL11879040 0.80 PLAU (0.55) ALDH1A1KDM4EMAPK1MAPTRAB9A
SCHEMBL3839311 0.79 CYP3A4 (0.56) ALDH1A1KDM4EMAPK1CYP3A4MAPT
SCHEMBL13021472 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 — — EP disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 — — EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 — — US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 — — EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 — — CN disclosed
CN-112020525-B Adducts of amine catalysts for preparing isocyanurate polymers 科思创知识产权两合公司 2023-05-16 — — CN disclosed
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2023-04-13 — — US disclosed
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 — — EP disclosed
US-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 — — US disclosed
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 — — US disclosed
EP-1506172-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-03-30 — — EP disclosed
EP-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 — — EP disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 — — US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 — — WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 — — US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 — — WO disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 — — US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 — — 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 (4 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-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885KDM4E 1204/4885MAPK1 3389/4885
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885KDM4E 4578/4885MAPK1 2734/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 ALDH1A1 331/4885KDM4E 4578/4885MAPK1 2734/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 ALDH1A1 1918/4885KDM4E 3911/4885MAPK1 902/4885

“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.