SCHEMBL3843398

SCHEMBL3843398

Cc1cc(N=C=O)c([N+](=O)[O-])cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP1A2 P05177 1/20 0.42
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 3/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NLRP1 Q9C000 1/20 0.41
HSD17B10 Q99714 1/20 0.38
TSHR P16473 7/20 0.38
RECQL P46063 1/20 0.38
GPR35 Q9HC97 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35

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
SCHEMBL29648762 1.00 CYP3A4 (0.42) CYP3A4CYP1A2TRPA1ALDH1A1TDP1
SCHEMBL7533803 0.83 ALDH1A1 (0.43) CYP3A4ALDH1A1TDP1MAPTHSD17B10
SCHEMBL11437749 0.80 CYP3A4 (0.44) CYP3A4CYP1A2TRPA1ALDH1A1TDP1
SCHEMBL3843245 0.79 TSHR (0.56) CYP3A4CYP1A2TRPA1ALDH1A1TDP1
SCHEMBL3839311 0.79 CYP3A4 (0.56) CYP3A4CYP1A2TRPA1ALDH1A1MAPT
SCHEMBL19554176 0.78 TDP1 (0.40) CYP3A4CYP1A2ALDH1A1TDP1MAPT
SCHEMBL2170890 0.77 CYP3A4 (0.56) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL28688754 0.75 MEN1 (0.44) CYP3A4CYP1A2ALDH1A1TDP1MAPT
SCHEMBL772362 0.75 TSHR (0.58) CYP3A4CYP1A2ALDH1A1TDP1MAPT
SCHEMBL30313522 0.75 TSHR (0.58) CYP3A4CYP1A2ALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO 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-20220363809-A1 POLYMERIZABLE COMPOSITIONS FOR PREPARING POLYISOCYANURATE-BASED PLASTICS HAVING EXTENDED WORKLIFE COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2022-11-17 US disclosed
WO-2022179939-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2022-09-01 WO 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-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 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-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 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 (2 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-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 CYP3A4 235/4885CYP1A2 264/4885TRPA1 983/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 CYP3A4 1263/4885CYP1A2 880/4885TRPA1 467/4885

“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.