SCHEMBL4450591

SCHEMBL4450591

c1ccc(N=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.74
ESR1 P03372 8/20 0.74
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTR3E A5X5Y0 2/20 0.52
HTR3B O95264 2/20 0.52
HTR3A P46098 2/20 0.52
HTR3D Q70Z44 2/20 0.52
HTR3C Q8WXA8 2/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
SLC22A3 O75751 1/20 0.52
PLAU P00749 1/20 0.52
NOS1 P29475 3/20 0.50
NOS3 P29474 2/20 0.50
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL12336908 0.97 ESR2 (0.78) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL15717660 0.92 ESR2 (0.71) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL17928347 0.91 ESR2 (0.69) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL20198257 0.87 ESR2 (0.66) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL25693071 0.87 ESR2 (0.66) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL29022906 0.85 ESR2 (1.00) ESR2ESR1MEN1KMT2A
SCHEMBL6932651 0.85 ESR2 (0.57) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL15275550 0.85 ESR2 (0.83) ESR2ESR1MEN1KMT2A
SCHEMBL12336909 0.85 ESR2 (0.69) ESR2ESR1MEN1KMT2AHTR3E
SCHEMBL23466340 0.84 ESR2 (0.68) ESR2ESR1MEN1KMT2AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404221-B2 Methods of arene alkenylation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-09-02 US disclosed
EP-4588968-A1 ALIPHATIC POLYKETONE COMPOSITION WITH IMPROVED THERMAL STABILITY TE Connectivity Solutions GmbH (CH) 2025-07-23 EP disclosed
US-20250230293-A1 Aliphatic Polyketone Composition with Improved Thermal Stability TE CONNECTIVITY SOLUTIONS GMBH (CH) 2025-07-17 US disclosed
US-11833494-B2 Catalysts and methods for forming alkenyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-12-05 US disclosed
US-20230312813-A1 METHOD FOR PRODUCING ANION EXCHANGE RESIN AND METHOD FOR PRODUCING ELECTROLYTE MEMBRANE UNIVERSITY OF YAMANASHI (JP) 2023-10-05 US disclosed
US-20230312813-A1 METHOD FOR PRODUCING ANION EXCHANGE RESIN AND METHOD FOR PRODUCING ELECTROLYTE MEMBRANE UNIVERSITY OF YAMANASHI (JP) 2023-10-05 US disclosed
US-11772083-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-10-03 US disclosed
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
US-20230234900-A1 METHODS OF ARENE ALKENYLATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-07-27 US disclosed
CN-108689942-B Nitrogen-containing bicyclic compound, and preparation method and application thereof 广东东阳光药业有限公司 2023-06-09 CN disclosed
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-12-31 US disclosed
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-12-31 US disclosed
EP-2043970-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-04-08 EP disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
US-20070066825-A1 Chiral ligands and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2007-03-22 US disclosed
CN-1791607-A Chiral ligands and transition metal complexes thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-06-21 CN disclosed
EP-0947561-B1 ORGANOPOLYSILOXANE COMPOSITION THREE BOND CO LTD (JP) 2002-04-10 EP disclosed
US-6235861-B1 REACTION INHIBITOR IS ADDED TO THE COMPOSITION COMPRISING AN ALKENYLATED ORGANOPOLYSILOXANE, AN ORGANOHYDROGENPOLYSILOXANE, AND A PLATINUM CATALYST. THREE BOND (JP) 2001-05-22 US disclosed
EP-0947561-A1 ORGANOPOLYSILOXANE COMPOSITION THREE BOND CO., LTD. (JP) 1999-10-06 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 (8 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-20070066825-A1 Chiral ligands and their transition metal complexes PICALM, CACYBP, SLC39A14 ESR2 637/4885ESR1 980/4885MEN1 1322/4885
US-20230234900-A1 METHODS OF ARENE ALKENYLATION CYBB, CBR3, AHR ESR2 773/4885ESR1 179/4885MEN1 4381/4885
US-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 ESR2 2476/4885ESR1 1540/4885MEN1 296/4885
US-20230312813-A1 METHOD FOR PRODUCING ANION EXCHANGE RESIN AND METHOD FOR PRODUCING ELECTROLYTE MEMBRANE SLC9A5, SLC9A1, SLC9A2 ESR2 2133/4885ESR1 2320/4885MEN1 953/4885
US-12404221-B2 Methods of arene alkenylation CYBB, CBR3, AHR ESR2 773/4885ESR1 179/4885MEN1 4381/4885
US-20090326240-A1 Iron-Copper Co-Catalyzed Process for Carbon-Carbon or Carbon-Heteroatom Bonding FECH, HCCS, SOD1 ESR2 2107/4885ESR1 1352/4885MEN1 2165/4885
US-11833494-B2 Catalysts and methods for forming alkenyl substituted arenes SOD1, ALKBH3, HACL2 ESR2 1497/4885ESR1 815/4885MEN1 3479/4885
US-11772083-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes ALKBH3, SOD1, GARS1 ESR2 1543/4885ESR1 672/4885MEN1 3368/4885

“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.